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

C15H20N2O4 — CID 60809197

IUPAC4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2CCC(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-8-7-9(2)16-13(18)12(8)14(19)17-11-5-3-10(4-6-11)15(20)21/h7,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCNYJTANIRNCDLE-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.36
Rot. Bonds3

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

4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60809197) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60809197
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2CCC(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-8-7-9(2)16-13(18)12(8)14(19)17-11-5-3-10(4-6-11)15(20)21/h7,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCNYJTANIRNCDLE-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 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-{rel-(3R,4S)-4-(dimethylamino)-1-[(2-hydroxy-6-isopropyl-3-pyridinyl)carbonyl]-3-piperidinyl}propanoic acid
CID 72903791
4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120184755
cis-(1R,2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 59718818
2-[(1-Butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67519874
4-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 67520139
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69472447
3-[(1-Butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid
CID 69472554
4-[[1-[(1-Ethylpyrrolidin-2-yl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69473269
(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 89503016
4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21804993
4-[(1-Methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21805076
7-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 43358976

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60809197) is 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C)c(C(=O)NC2CCC(C(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CNYJTANIRNCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-8-7-9(2)16-13(18)12(8)14(19)17-11-5-3-10(4-6-11)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 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(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 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).