N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C13H17N5O2 — CID 64555973

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H17N5O2/c1-3-13(2,7-19)17-12(20)10-4-5-11(15-6-10)18-9-14-8-16-18/h4-6,8-9,19H,3,7H2,1-2H3,(H,17,20)
InChIKeyLSFQQXGBLPXGNX-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.55
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 64555973) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID64555973
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H17N5O2/c1-3-13(2,7-19)17-12(20)10-4-5-11(15-6-10)18-9-14-8-16-18/h4-6,8-9,19H,3,7H2,1-2H3,(H,17,20)
InChIKeyLSFQQXGBLPXGNX-UHFFFAOYSA-N
XLogP0.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 107847089
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 106385679
3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 61006798
N-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 55027908
N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119567147
6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112809661
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 64555973) is N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is CCC(C)(CO)NC(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is LSFQQXGBLPXGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-13(2,7-19)17-12(20)10-4-5-11(15-6-10)18-9-14-8-16-18/h4-6,8-9,19H,3,7H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 64555973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).