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Chemical ID: 6039257

Chemical ID:

6039257

Name [?]:

N-pentyl-N-[2-[2-(1-piperidyl)ethylcarbamoyl]ethyl]pyrazine-2-carboxamide

SMILES [?]:

CCCCCN(CCC(=O)NCCN1CCCCC1)C(=O)c2cnccn2

InChi [?]:

InChI=1/C20H33N5O2/c1-2-3-5-14-25(20(27)18-17-21-9-10-22-18)15-8-19(26)23-11-16-24-12-6-4-7-13-24/h9-10,17H,2-8,11-16H2,1H3,(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,2,3,17,4,16,18,8,25,26,12,15,19,5,7,13,23,22,9,20,24,27,11,14,6,10,21/E:(6,7)(12,13)/rA:27nCCCCCNCCCONCCNCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s14s18;s6;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₃N₅O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5697
Area:	643.988
Solvation:	-3.53001
Coulombic:	-53.7371

Bond Count [?]

All:	28
Single:	23
Double:	5
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	375.509
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.61
LogP (Chemaxon):	0.38

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