5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C15H18ClN5O2 — CID 90653950

IUPAC5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C15H18ClN5O2/c16-10-6-12(14(22)17-7-10)15(23)18-8-13-20-19-9-21(13)11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H,17,22)(H,18,23)
InChIKeyVHRFYBFNAPDKLI-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.06
Rot. Bonds4

About 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90653950) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90653950
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C15H18ClN5O2/c16-10-6-12(14(22)17-7-10)15(23)18-8-13-20-19-9-21(13)11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H,17,22)(H,18,23)
InChIKeyVHRFYBFNAPDKLI-UHFFFAOYSA-N
XLogP2.06
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 90647930
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 131951388
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide
CID 77092303
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154913583
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 118792085
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide
CID 91794017
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70784422
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
CID 169414310
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176505585

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 90653950) is 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCc1nncn1C1CCCCC1)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VHRFYBFNAPDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c16-10-6-12(14(22)17-7-10)15(23)18-8-13-20-19-9-21(13)11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H,17,22)(H,18,23).
What are the key properties of 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 335.80 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90653950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).