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Chemical ID: 5899672

Cc1cccc(c1C)NC(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCC(CC4)C

Chemical ID:

5899672

Name [?]:

5-[(2,3-dimethylphenyl)carbamoylamino]-2-(4-methyl-1-piperidyl)-N-(3-pyridylmethyl)benzamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCC(CC4)C

InChi [?]:

InChI=1/C28H33N5O2/c1-19-11-14-33(15-12-19)26-10-9-23(31-28(35)32-25-8-4-6-20(2)21(25)3)16-24(26)27(34)30-18-22-7-5-13-29-17-22/h4-10,13,16-17,19H,11-12,14-15,18H2,1-3H3,(H,30,34)(H2,31,32,35)

InChi Info:

AuxInfo=1/1/N:35,1,8,4,25,3,24,5,14,15,31,33,26,30,34,18,28,22,32,2,7,23,13,17,6,16,19,10,27,21,12,9,29,20,11/E:(11,12)(14,15)/rA:35nCCCCCCCCNCONCCCCCCCONCCCCCNCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s16;s29;s30;s31;s32;s29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₃N₅O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	13.8641
Area:	740.788
Solvation:	-4.65558
Coulombic:	-66.301

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.594
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.59
LogP (Chemaxon):	4.47

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value