N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 28826307

IUPACN-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O3/c15-10-4-2-9(3-5-10)14-12(17)8-1-6-11(16)13-7-8/h1,6-7,9-10,15H,2-5H2,(H,13,16)(H,14,17)
InChIKeyARQZSQJHMOOGRB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.41
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 28826307) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID28826307
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O3/c15-10-4-2-9(3-5-10)14-12(17)8-1-6-11(16)13-7-8/h1,6-7,9-10,15H,2-5H2,(H,13,16)(H,14,17)
InChIKeyARQZSQJHMOOGRB-UHFFFAOYSA-N
XLogP0.41
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (CID 28826307) is N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCC(O)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ARQZSQJHMOOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-10-4-2-9(3-5-10)14-12(17)8-1-6-11(16)13-7-8/h1,6-7,9-10,15H,2-5H2,(H,13,16)(H,14,17).
What are the key properties of N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28826307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).