7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid

C14H20N2O4 — CID 43172064

IUPAC7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid
SMILESCn1ccc(C(=O)NCCCCCCC(=O)O)cc1=O
InChIInChI=1S/C14H20N2O4/c1-16-9-7-11(10-12(16)17)14(20)15-8-5-3-2-4-6-13(18)19/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyFTAKAYZBIICRHF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.15
Rot. Bonds8

About 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid

7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid (PubChem CID 43172064) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid
PubChem CID43172064
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid
SMILESCn1ccc(C(=O)NCCCCCCC(=O)O)cc1=O
InChIInChI=1S/C14H20N2O4/c1-16-9-7-11(10-12(16)17)14(20)15-8-5-3-2-4-6-13(18)19/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyFTAKAYZBIICRHF-UHFFFAOYSA-N
XLogP1.15
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid (CID 43172064) is 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid is Cn1ccc(C(=O)NCCCCCCC(=O)O)cc1=O.
What is the InChIKey of 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid?
The InChIKey is FTAKAYZBIICRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16-9-7-11(10-12(16)17)14(20)15-8-5-3-2-4-6-13(18)19/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid?
7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methyl-2-oxopyridine-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 43172064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).