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Chemical ID: 6038929

Chemical ID:

6038929

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C19H31N5O2/c1-2-3-13-24(19(26)17-16-20-8-9-21-17)14-7-18(25)22-10-15-23-11-5-4-6-12-23/h8-9,16H,2-7,10-15H2,1H3,(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,16,15,17,7,24,25,11,14,18,4,6,12,22,21,8,19,23,26,10,13,5,9,20/E:(5,6)(11,12)/rA:26nCCCCNCCCONCCNCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s5;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₁N₅O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9933
Area:	619.58
Solvation:	-3.49622
Coulombic:	-53.4329

Bond Count [?]

All:	27
Single:	22
Double:	5
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	361.482
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.04
LogP (Chemaxon):	-0.02

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