7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid

C15H22N2O4 — CID 43358976

IUPAC7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
SMILESCc1cc(C)c(C(=O)NCCCCCCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H22N2O4/c1-10-9-11(2)17-15(21)13(10)14(20)16-8-6-4-3-5-7-12(18)19/h9H,3-8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyXIZUXBOZDNJNMY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.76
Rot. Bonds8

About 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid

7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid (PubChem CID 43358976) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
PubChem CID43358976
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
SMILESCc1cc(C)c(C(=O)NCCCCCCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H22N2O4/c1-10-9-11(2)17-15(21)13(10)14(20)16-8-6-4-3-5-7-12(18)19/h9H,3-8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyXIZUXBOZDNJNMY-UHFFFAOYSA-N
XLogP1.76
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(2-Oxo-1,2-dihydropyridine-3-carboxamido)octanoic acid
CID 10660393
8-[(1-methyl-2H-pyridine-3-carbonyl)amino]octanoic acid
CID 20131983
8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69472447
2-[(1-Butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
CID 69475766
7-oxo-7-[[(3Z,5E)-5-(propan-2-ylamino)hepta-3,5-dienyl]amino]heptanoic acid
CID 132134666
8-[[(3E)-4-amino-5-hydroxy-2-methylidenehexa-3,5-dienoyl]amino]octanoic acid;ethane
CID 141962580
8-[[(2Z,4Z)-7-methyl-3-(methylamino)-6-methylideneocta-2,4-dienoyl]amino]octanoic acid
CID 141962612
7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid
CID 24693793
7-[(2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24708760
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24710339
6-[3-(4-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150891

Frequently Asked Questions

What is the IUPAC name of 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid (CID 43358976) is 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid is Cc1cc(C)c(C(=O)NCCCCCCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The InChIKey is XIZUXBOZDNJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-9-11(2)17-15(21)13(10)14(20)16-8-6-4-3-5-7-12(18)19/h9H,3-8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 43358976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).