8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid

C15H22N2O4 — CID 120535591

IUPAC8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
SMILESCn1cccc(C(=O)NCCCCCCCC(=O)O)c1=O
InChIInChI=1S/C15H22N2O4/c1-17-11-7-8-12(15(17)21)14(20)16-10-6-4-2-3-5-9-13(18)19/h7-8,11H,2-6,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyZVOXKDZIVBXTLL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds9

About 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid

8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid (PubChem CID 120535591) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
PubChem CID120535591
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
SMILESCn1cccc(C(=O)NCCCCCCCC(=O)O)c1=O
InChIInChI=1S/C15H22N2O4/c1-17-11-7-8-12(15(17)21)14(20)16-10-6-4-2-3-5-9-13(18)19/h7-8,11H,2-6,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyZVOXKDZIVBXTLL-UHFFFAOYSA-N
XLogP1.54
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
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

12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
CID 173066251
6-[[2-(difluoromethylsulfanyl)benzoyl]amino]hexanoic acid
CID 43091720
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
CID 120525358
2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid
CID 175912578
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid (CID 120535591) is 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid is Cn1cccc(C(=O)NCCCCCCCC(=O)O)c1=O.
What is the InChIKey of 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid?
The InChIKey is ZVOXKDZIVBXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17-11-7-8-12(15(17)21)14(20)16-10-6-4-2-3-5-9-13(18)19/h7-8,11H,2-6,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid?
8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid is sourced from PubChem (CID 120535591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).