2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

C14H17N3O4 — CID 13474728

IUPAC2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESNC(=O)C1(NC(=O)c2ncccc2C(=O)O)CCCCC1
InChIInChI=1S/C14H17N3O4/c15-13(21)14(6-2-1-3-7-14)17-11(18)10-9(12(19)20)5-4-8-16-10/h4-5,8H,1-3,6-7H2,(H2,15,21)(H,17,18)(H,19,20)
InChIKeyJBMWJRPCWHWVTK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.70
Rot. Bonds4

About 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 13474728) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID13474728
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESNC(=O)C1(NC(=O)c2ncccc2C(=O)O)CCCCC1
InChIInChI=1S/C14H17N3O4/c15-13(21)14(6-2-1-3-7-14)17-11(18)10-9(12(19)20)5-4-8-16-10/h4-5,8H,1-3,6-7H2,(H2,15,21)(H,17,18)(H,19,20)
InChIKeyJBMWJRPCWHWVTK-UHFFFAOYSA-N
XLogP0.70
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid
CID 63614286
N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 104742633
2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63614767
pyridine-2,3-dicarboxylic acid
CID 1066
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
CID 113447709
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351170

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (CID 13474728) is 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is NC(=O)C1(NC(=O)c2ncccc2C(=O)O)CCCCC1.
What is the InChIKey of 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is JBMWJRPCWHWVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-13(21)14(6-2-1-3-7-14)17-11(18)10-9(12(19)20)5-4-8-16-10/h4-5,8H,1-3,6-7H2,(H2,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 13474728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).