1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide

C17H20ClN3O2 — CID 120827036

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-12(19-2)9-20-17(23)14-7-8-16(22)21(11-14)10-13-5-3-4-6-15(13)18/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,23)
InChIKeyODEVXSCGZZTKDU-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.89
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide (PubChem CID 120827036) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
PubChem CID120827036
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-12(19-2)9-20-17(23)14-7-8-16(22)21(11-14)10-13-5-3-4-6-15(13)18/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,23)
InChIKeyODEVXSCGZZTKDU-UHFFFAOYSA-N
XLogP1.89
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 18160634
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
CID 16602961
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 112837431
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 112842807
1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide
CID 24622246
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide (CID 120827036) is 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide is CNC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide?
The InChIKey is ODEVXSCGZZTKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12(19-2)9-20-17(23)14-7-8-16(22)21(11-14)10-13-5-3-4-6-15(13)18/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 120827036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).