2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C18H20N2O4 — CID 119233951

IUPAC2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)NCC(Cc2ccccc2)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C18H20N2O4/c1-11-8-12(2)20-17(22)15(11)16(21)19-10-14(18(23)24)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyJPZHDMIEJHPDNI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.67
Rot. Bonds6

About 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119233951) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID119233951
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)NCC(Cc2ccccc2)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C18H20N2O4/c1-11-8-12(2)20-17(22)15(11)16(21)19-10-14(18(23)24)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyJPZHDMIEJHPDNI-UHFFFAOYSA-N
XLogP1.67
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71849451
N-[(2R)-2-hydroxy-3-phenylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97067509
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
N-(2-hydroxy-4-methylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103771386
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 120525163
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97133856
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 119233951) is 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is Cc1cc(C)c(C(=O)NCC(Cc2ccccc2)C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is JPZHDMIEJHPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-8-12(2)20-17(22)15(11)16(21)19-10-14(18(23)24)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119233951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).