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

C12H17N3O2 — CID 62318333

IUPACN-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H17N3O2/c13-9-2-4-10(5-3-9)15-12(17)8-1-6-11(16)14-7-8/h1,6-7,9-10H,2-5,13H2,(H,14,16)(H,15,17)
InChIKeyKBMBCTZTWFXRSH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.37
Rot. Bonds2

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

N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 62318333) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID62318333
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H17N3O2/c13-9-2-4-10(5-3-9)15-12(17)8-1-6-11(16)14-7-8/h1,6-7,9-10H,2-5,13H2,(H,14,16)(H,15,17)
InChIKeyKBMBCTZTWFXRSH-UHFFFAOYSA-N
XLogP0.37
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (CID 62318333) is N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is NC1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KBMBCTZTWFXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-9-2-4-10(5-3-9)15-12(17)8-1-6-11(16)14-7-8/h1,6-7,9-10H,2-5,13H2,(H,14,16)(H,15,17).
What are the key properties of N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62318333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).