3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid

C20H21ClN2O4 — CID 120535358

IUPAC3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1)C(=O)O
InChIInChI=1S/C20H21ClN2O4/c1-13(20(26)27)10-23(16-7-8-16)19(25)15-6-9-18(24)22(12-15)11-14-4-2-3-5-17(14)21/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,26,27)
InChIKeyKMEYHQVIBGENBZ-UHFFFAOYSA-N
MW388.85 g/mol
LogP2.88
Rot. Bonds7

About 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid

3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid (PubChem CID 120535358) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid
PubChem CID120535358
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1)C(=O)O
InChIInChI=1S/C20H21ClN2O4/c1-13(20(26)27)10-23(16-7-8-16)19(25)15-6-9-18(24)22(12-15)11-14-4-2-3-5-17(14)21/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,26,27)
InChIKeyKMEYHQVIBGENBZ-UHFFFAOYSA-N
XLogP2.88
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
CID 119826213
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
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-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 31234686
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
(3S,4S)-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953492
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 42886096
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid (CID 120535358) is 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid is CC(CN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1)C(=O)O.
What is the InChIKey of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid?
The InChIKey is KMEYHQVIBGENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-13(20(26)27)10-23(16-7-8-16)19(25)15-6-9-18(24)22(12-15)11-14-4-2-3-5-17(14)21/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,26,27).
What are the key properties of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid?
3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid has a molecular weight of 388.85 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120535358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).