1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide

C20H18ClN3O2 — CID 18160634

IUPAC1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccncc1
InChIInChI=1S/C20H18ClN3O2/c1-14(15-8-10-22-11-9-15)23-20(26)17-6-7-19(25)24(13-17)12-16-4-2-3-5-18(16)21/h2-11,13-14H,12H2,1H3,(H,23,26)
InChIKeyGMFCCMPXXDGGHT-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.44
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 18160634) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID18160634
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccncc1
InChIInChI=1S/C20H18ClN3O2/c1-14(15-8-10-22-11-9-15)23-20(26)17-6-7-19(25)24(13-17)12-16-4-2-3-5-18(16)21/h2-11,13-14H,12H2,1H3,(H,23,26)
InChIKeyGMFCCMPXXDGGHT-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide
CID 16574268
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
CID 16602961
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 112837431
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 25352738
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 51647994

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 18160634) is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccncc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is GMFCCMPXXDGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-14(15-8-10-22-11-9-15)23-20(26)17-6-7-19(25)24(13-17)12-16-4-2-3-5-18(16)21/h2-11,13-14H,12H2,1H3,(H,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18160634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).