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

C13H17N3O3 — CID 60725369

IUPACN-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H17N3O3/c14-12(18)8-1-4-10(5-2-8)16-13(19)9-3-6-11(17)15-7-9/h3,6-8,10H,1-2,4-5H2,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyMPNYQXVGWNANFK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.15
Rot. Bonds3

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

N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 60725369) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID60725369
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H17N3O3/c14-12(18)8-1-4-10(5-2-8)16-13(19)9-3-6-11(17)15-7-9/h3,6-8,10H,1-2,4-5H2,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyMPNYQXVGWNANFK-UHFFFAOYSA-N
XLogP0.15
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (CID 60725369) is N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)C1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MPNYQXVGWNANFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(18)8-1-4-10(5-2-8)16-13(19)9-3-6-11(17)15-7-9/h3,6-8,10H,1-2,4-5H2,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60725369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).