3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid

C19H21ClN2O5 — CID 120532327

IUPAC3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O5/c1-19(12-27-2,9-17(24)25)21-18(26)14-7-8-16(23)22(11-14)10-13-5-3-4-6-15(13)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyNFJGHHNKQURTQB-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.16
Rot. Bonds8

About 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid

3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid (PubChem CID 120532327) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid
PubChem CID120532327
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O5/c1-19(12-27-2,9-17(24)25)21-18(26)14-7-8-16(23)22(11-14)10-13-5-3-4-6-15(13)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyNFJGHHNKQURTQB-UHFFFAOYSA-N
XLogP2.16
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid with MolForge

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Related Compounds

N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-N-(4,5-dimethoxy-2-methylphenyl)-6-oxopyridine-3-carboxamide
CID 24559729
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
CID 30387044
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 18160634
1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
CID 16602961
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid?
The IUPAC name of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid (CID 120532327) is 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid.
What is the SMILES notation for 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid?
The canonical SMILES for 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid is COCC(C)(CC(=O)O)NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid?
The InChIKey is NFJGHHNKQURTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-19(12-27-2,9-17(24)25)21-18(26)14-7-8-16(23)22(11-14)10-13-5-3-4-6-15(13)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid?
3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid has a molecular weight of 392.84 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 120532327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).