3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide

C15H12ClN3O2 — CID 82031897

IUPAC3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-3-6-15(21)19(10-12)8-7-14(20)18-13-4-1-11(9-17)2-5-13/h1-6,10H,7-8H2,(H,18,20)
InChIKeyGQBSKCPNWGSBEV-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.40
Rot. Bonds4

About 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide

3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide (PubChem CID 82031897) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide
PubChem CID82031897
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-3-6-15(21)19(10-12)8-7-14(20)18-13-4-1-11(9-17)2-5-13/h1-6,10H,7-8H2,(H,18,20)
InChIKeyGQBSKCPNWGSBEV-UHFFFAOYSA-N
XLogP2.40
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
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N,N'-bis(4-cyanophenyl)pentanediamide
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4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
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CID 62058920
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 26665455
N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide
CID 43824263
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CID 62490993

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide (CID 82031897) is 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCn2cc(Cl)ccc2=O)cc1.
What is the InChIKey of 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide?
The InChIKey is GQBSKCPNWGSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-3-6-15(21)19(10-12)8-7-14(20)18-13-4-1-11(9-17)2-5-13/h1-6,10H,7-8H2,(H,18,20).
What are the key properties of 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide?
3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide has a molecular weight of 301.73 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 82031897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).