N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide

C16H15ClN2O2 — CID 171622407

IUPACN-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESC/C=C(\C)c1ccc(NC(=O)c2c(Cl)cc[nH]c2=O)cc1
InChIInChI=1S/C16H15ClN2O2/c1-3-10(2)11-4-6-12(7-5-11)19-16(21)14-13(17)8-9-18-15(14)20/h3-9H,1-2H3,(H,18,20)(H,19,21)/b10-3+
InChIKeyIDPYONXEVXXPMA-XCVCLJGOSA-N
MW302.76 g/mol
LogP3.70
Rot. Bonds3

About N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide

N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171622407) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID171622407
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESC/C=C(\C)c1ccc(NC(=O)c2c(Cl)cc[nH]c2=O)cc1
InChIInChI=1S/C16H15ClN2O2/c1-3-10(2)11-4-6-12(7-5-11)19-16(21)14-13(17)8-9-18-15(14)20/h3-9H,1-2H3,(H,18,20)(H,19,21)/b10-3+
InChIKeyIDPYONXEVXXPMA-XCVCLJGOSA-N
XLogP3.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,6-trichloro-N-(4-chlorophenyl)benzamide
CID 19171109
N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110861200
N-(4-ethoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110650319
2,6-dichloro-N-(2-oxo-1H-pyridin-4-yl)benzamide
CID 59618445
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030119
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
butyl 4-[(2,3,6-trichlorobenzoyl)amino]benzoate
CID 19171011
2,3,6-trichloro-N-pyridin-4-ylbenzamide
CID 59618030
N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
CID 143185274
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
CID 110650851
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861142

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide (CID 171622407) is N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide is C/C=C(\C)c1ccc(NC(=O)c2c(Cl)cc[nH]c2=O)cc1.
What is the InChIKey of N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IDPYONXEVXXPMA-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-3-10(2)11-4-6-12(7-5-11)19-16(21)14-13(17)8-9-18-15(14)20/h3-9H,1-2H3,(H,18,20)(H,19,21)/b10-3+.
What are the key properties of N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-but-2-en-2-yl]phenyl]-4-chloro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171622407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).