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

C14H18N2O4 — CID 63614286

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C14H18N2O4/c17-9-14(6-2-1-3-7-14)16-12(18)11-10(13(19)20)5-4-8-15-11/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyUYPFIPWGCZBLKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.20
Rot. Bonds4

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

2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614286) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID63614286
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C14H18N2O4/c17-9-14(6-2-1-3-7-14)16-12(18)11-10(13(19)20)5-4-8-15-11/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyUYPFIPWGCZBLKF-UHFFFAOYSA-N
XLogP1.20
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]pyridine-2-carboxamide
CID 55081325
3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
CID 113447709
2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 13474728
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134434700
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63614767
3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134434697
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114114627
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid (CID 63614286) is 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is UYPFIPWGCZBLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-9-14(6-2-1-3-7-14)16-12(18)11-10(13(19)20)5-4-8-15-11/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)(H,19,20).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid?
2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).