2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide

C17H12ClN5O — CID 71561169

IUPAC2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide
SMILESN#CC(C(=O)NCc1cccnc1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C17H12ClN5O/c18-16-15(22-13-5-1-2-6-14(13)23-16)12(8-19)17(24)21-10-11-4-3-7-20-9-11/h1-7,9,12H,10H2,(H,21,24)
InChIKeyICDXCZPFPBWADG-UHFFFAOYSA-N
MW337.77 g/mol
LogP2.60
Rot. Bonds4

About 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide

2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 71561169) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide
PubChem CID71561169
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide
SMILESN#CC(C(=O)NCc1cccnc1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C17H12ClN5O/c18-16-15(22-13-5-1-2-6-14(13)23-16)12(8-19)17(24)21-10-11-4-3-7-20-9-11/h1-7,9,12H,10H2,(H,21,24)
InChIKeyICDXCZPFPBWADG-UHFFFAOYSA-N
XLogP2.60
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide
CID 7693524
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetamide
CID 7367750
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide
CID 7367749
(2S)-N-benzyl-2-cyano-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7381848
2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-N-benzyl-2-cyanoacetamide
CID 4275700
N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide
CID 175062008
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
methyl 1-[3-[(1S)-2-(benzylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
CID 40837315

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide (CID 71561169) is 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide is N#CC(C(=O)NCc1cccnc1)c1nc2ccccc2nc1Cl.
What is the InChIKey of 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ICDXCZPFPBWADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-16-15(22-13-5-1-2-6-14(13)23-16)12(8-19)17(24)21-10-11-4-3-7-20-9-11/h1-7,9,12H,10H2,(H,21,24).
What are the key properties of 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide?
2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 337.77 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 71561169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).