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

C14H18N2O4 — CID 66030310

IUPAC3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2CCC(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-7-5-8(2)15-12(17)11(7)13(18)16-10-4-3-9(6-10)14(19)20/h5,9-10H,3-4,6H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXWAKAJFUHVXVAR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.97
Rot. Bonds3

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

3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030310) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030310
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2CCC(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-7-5-8(2)15-12(17)11(7)13(18)16-10-4-3-9(6-10)14(19)20/h5,9-10H,3-4,6H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXWAKAJFUHVXVAR-UHFFFAOYSA-N
XLogP0.97
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66030310) is 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C)c(C(=O)NC2CCC(C(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XWAKAJFUHVXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-7-5-8(2)15-12(17)11(7)13(18)16-10-4-3-9(6-10)14(19)20/h5,9-10H,3-4,6H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).