N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide

C16H15ClN2O2 — CID 51084462

IUPACN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1
InChIInChI=1S/C16H15ClN2O2/c17-14-4-2-1-3-12(14)9-19-10-13(7-8-15(19)20)18-16(21)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,18,21)
InChIKeyXFTNKVJHOGWELU-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.90
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 51084462) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide
PubChem CID51084462
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1
InChIInChI=1S/C16H15ClN2O2/c17-14-4-2-1-3-12(14)9-19-10-13(7-8-15(19)20)18-16(21)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,18,21)
InChIKeyXFTNKVJHOGWELU-UHFFFAOYSA-N
XLogP2.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2-oxo-1H-pyridin-4-yl)benzamide
CID 59618445
1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
1-(2-Chloro-6-fluorobenzyl)-3-methyl-1,2-dihydropyridin-2-one
CID 2805343
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
2-propynyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 3842239
N-benzyl-3-(2-chlorophenyl)acrylamide
CID 5333112
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
6-(4-Chlorophenyl)-n3-cyclohexyl-4-oxo-1-pentyl-1,4-dihydropyridine-3-carboxamide
CID 49820166
(E)-3-[1-[3-(2-chlorophenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846840
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
2(1H)-Pyridinone, 3-(((2-chlorophenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454354

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide (CID 51084462) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is XFTNKVJHOGWELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-14-4-2-1-3-12(14)9-19-10-13(7-8-15(19)20)18-16(21)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,18,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide?
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 302.76 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 51084462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).