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Chemical ID: 6039144

Chemical ID:

6039144

Name [?]:

N-propyl-N-[2-(sec-butylcarbamoyl)ethyl]pyrazine-2-carboxamide

SMILES [?]:

CCCN(CCC(=O)NC(C)CC)C(=O)c1cnccn1

InChi [?]:

InChI=1/C15H24N4O2/c1-4-9-19(10-6-14(20)18-12(3)5-2)15(21)13-11-16-7-8-17-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,13,11,2,12,6,19,20,3,5,17,10,16,7,14,18,21,9,4,8,15/rA:21cCCCNCCCONCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s10;s12;s4;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₄N₄O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.89277
Area:	512.094
Solvation:	-2.90959
Coulombic:	-48.5728

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	292.377
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	0.99
LogP (Chemaxon):	0.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value