1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

C14H17ClN2O3 — CID 66463581

IUPAC1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1ccncc1Cl)C(=O)O
InChIInChI=1S/C14H17ClN2O3/c1-9-4-2-3-6-14(9,13(19)20)17-12(18)10-5-7-16-8-11(10)15/h5,7-9H,2-4,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyAKAVRFHHYKYHTF-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.50
Rot. Bonds3

About 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 66463581) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID66463581
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1ccncc1Cl)C(=O)O
InChIInChI=1S/C14H17ClN2O3/c1-9-4-2-3-6-14(9,13(19)20)17-12(18)10-5-7-16-8-11(10)15/h5,7-9H,2-4,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyAKAVRFHHYKYHTF-UHFFFAOYSA-N
XLogP2.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-fluorobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295226
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61295040
1-[(4-chloro-3-fluorobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 107997812
3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide
CID 79877759
1-[(4-iodobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294307
1-[(2-bromofuran-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 106850974
1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309086
2-methyl-1-[(4-methylsulfanylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61293398
1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294678
2-methyl-1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 114990010
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]pyridine-4-carboxamide
CID 77135272

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 66463581) is 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)c1ccncc1Cl)C(=O)O.
What is the InChIKey of 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is AKAVRFHHYKYHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-4-2-3-6-14(9,13(19)20)17-12(18)10-5-7-16-8-11(10)15/h5,7-9H,2-4,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66463581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).