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Chemical ID: 6038811

c1ccc(cc1)CN(CCC(=O)N2CCCC2)C(=O)c3cnccn3

Chemical ID:

6038811

Name [?]:

N-benzyl-N-(2-pyrrolidin-1-ylcarbonylethyl)pyrazine-2-carboxamide

SMILES [?]:

c1ccc(cc1)CN(CCC(=O)N2CCCC2)C(=O)c3cnccn3

InChi [?]:

InChI=1/C19H22N4O2/c24-18(22-11-4-5-12-22)8-13-23(15-16-6-2-1-3-7-16)19(25)17-14-20-9-10-21-17/h1-3,6-7,9-10,14H,4-5,8,11-13,15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,15,16,3,5,10,23,24,14,17,9,21,7,4,20,11,18,22,25,13,8,12,19/E:(2,3)(4,5)(6,7)(11,12)/rA:25nCCCCCCCNCCCONCCCCCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s15;s13s16;s8;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₄O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1676
Area:	543.798
Solvation:	-3.42734
Coulombic:	-44.5979

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	338.404
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.33
LogP (Chemaxon):	0.42

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value