4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

C13H18N2O4 — CID 104772766

IUPAC4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCc1ccc(C(=O)NCC(C)CCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H18N2O4/c1-8(3-6-11(16)17)7-14-12(18)10-5-4-9(2)15-13(10)19/h4-5,8H,3,6-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyFJEYZVNQAVNLAE-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.91
Rot. Bonds6

About 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 104772766) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
PubChem CID104772766
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCc1ccc(C(=O)NCC(C)CCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H18N2O4/c1-8(3-6-11(16)17)7-14-12(18)10-5-4-9(2)15-13(10)19/h4-5,8H,3,6-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyFJEYZVNQAVNLAE-UHFFFAOYSA-N
XLogP0.91
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977087
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113451622
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976208
methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115584292
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247079
(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114004919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (CID 104772766) is 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is Cc1ccc(C(=O)NCC(C)CCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is FJEYZVNQAVNLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(3-6-11(16)17)7-14-12(18)10-5-4-9(2)15-13(10)19/h4-5,8H,3,6-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 104772766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).