1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide

C19H22ClN3O2 — CID 167967928

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1
InChIInChI=1S/C19H22ClN3O2/c1-22(16-7-8-16)11-10-21-19(25)15-6-9-18(24)23(13-15)12-14-4-2-3-5-17(14)20/h2-6,9,13,16H,7-8,10-12H2,1H3,(H,21,25)
InChIKeyFNUAFHSRGCXHBV-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.37
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 167967928) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
PubChem CID167967928
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1
InChIInChI=1S/C19H22ClN3O2/c1-22(16-7-8-16)11-10-21-19(25)15-6-9-18(24)23(13-15)12-14-4-2-3-5-17(14)20/h2-6,9,13,16H,7-8,10-12H2,1H3,(H,21,25)
InChIKeyFNUAFHSRGCXHBV-UHFFFAOYSA-N
XLogP2.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride
CID 119537978
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148
3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid
CID 120535358
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 112842807
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
CID 119826213
1-[(2-chlorophenyl)methyl]-N-methyl-N-(1-methylcyclobutyl)-6-oxopyridine-3-carboxamide
CID 166315489
1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-6-oxo-N-propylpyridine-3-carboxamide
CID 112806745
1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
CID 30387044

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide (CID 167967928) is 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide is CN(CCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is FNUAFHSRGCXHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22(16-7-8-16)11-10-21-19(25)15-6-9-18(24)23(13-15)12-14-4-2-3-5-17(14)20/h2-6,9,13,16H,7-8,10-12H2,1H3,(H,21,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 167967928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).