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Chemical ID: 3896541

Chemical ID:

3896541

Name [?]:

6-(3-methyl-1-piperidyl)-N-phenethyl-pyridine-3-carboxamide

SMILES [?]:

CC1CCCN(C1)c2ccc(cn2)C(=O)NCCc3ccccc3

InChi [?]:

InChI=1/C20H25N3O/c1-16-6-5-13-23(15-16)19-10-9-18(14-22-19)20(24)21-12-11-17-7-3-2-4-8-17/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,4,3,20,24,10,9,18,17,5,12,7,2,19,11,8,14,16,13,6,15/E:(3,4)(7,8)/rA:24cCCCCCNCCCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅N₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	2

ZAP Information [?]

Total:	11.3727
Area:	560.411
Solvation:	-2.63763
Coulombic:	-35.3295

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.432
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.14
LogP (Chemaxon):	3.75

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