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

C15H20N2O4 — CID 64815434

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2CCCCC2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-8-7-9(2)16-13(18)12(8)14(19)17-11-6-4-3-5-10(11)15(20)21/h7,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyVNFOEFYTNIRQRX-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.36
Rot. Bonds3

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

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64815434) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64815434
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2CCCCC2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-8-7-9(2)16-13(18)12(8)14(19)17-11-6-4-3-5-10(11)15(20)21/h7,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyVNFOEFYTNIRQRX-UHFFFAOYSA-N
XLogP1.36
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103759059
trans-(1S,2S)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97324250
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
N-[1-(hydroxymethyl)cyclohexyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 62521639
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812471
2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813055
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741965
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64815434) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C)c(C(=O)NC2CCCCC2C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VNFOEFYTNIRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-8-7-9(2)16-13(18)12(8)14(19)17-11-6-4-3-5-10(11)15(20)21/h7,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64815434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).