5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid

C12H16N2O4 — CID 120525358

IUPAC5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
SMILESCn1c(C(=O)NCCCCC(=O)O)cccc1=O
InChIInChI=1S/C12H16N2O4/c1-14-9(5-4-6-10(14)15)12(18)13-8-3-2-7-11(16)17/h4-6H,2-3,7-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyAOLGDEBTJIBXBA-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.37
Rot. Bonds6

About 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid

5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 120525358) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
PubChem CID120525358
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
SMILESCn1c(C(=O)NCCCCC(=O)O)cccc1=O
InChIInChI=1S/C12H16N2O4/c1-14-9(5-4-6-10(14)15)12(18)13-8-3-2-7-11(16)17/h4-6H,2-3,7-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyAOLGDEBTJIBXBA-UHFFFAOYSA-N
XLogP0.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
CID 28791167
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
CID 120535591
6-[(1-cyclopropylpyrrole-2-carbonyl)amino]hexanoic acid
CID 43639266
4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 120528619
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid (CID 120525358) is 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid is Cn1c(C(=O)NCCCCC(=O)O)cccc1=O.
What is the InChIKey of 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is AOLGDEBTJIBXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14-9(5-4-6-10(14)15)12(18)13-8-3-2-7-11(16)17/h4-6H,2-3,7-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid?
5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120525358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).