N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C15H19N5O2 — CID 90650095

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C15H19N5O2/c21-14-8-4-7-12(18-14)15(22)16-9-13-19-17-10-20(13)11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,22)(H,18,21)
InChIKeyNGQXNXHOZNDGCA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.40
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 90650095) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID90650095
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C15H19N5O2/c21-14-8-4-7-12(18-14)15(22)16-9-13-19-17-10-20(13)11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,22)(H,18,21)
InChIKeyNGQXNXHOZNDGCA-UHFFFAOYSA-N
XLogP1.40
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114170961
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]-4-sulfamoylbenzamide
CID 77092303
5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90653950
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]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 90647930
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]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154913583
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
(2S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97189861

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 90650095) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NCc1nncn1C1CCCCC1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NGQXNXHOZNDGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-14-8-4-7-12(18-14)15(22)16-9-13-19-17-10-20(13)11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,22)(H,18,21).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 90650095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).