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

C16H15N5O — CID 3358011

IUPACN-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H15N5O/c1-11-4-3-5-12(2)15(11)20-16(22)13-6-7-14(18-8-13)21-10-17-9-19-21/h3-10H,1-2H3,(H,20,22)
InChIKeyFVVDIPZEOXIXRF-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds3

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

N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 3358011) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID3358011
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H15N5O/c1-11-4-3-5-12(2)15(11)20-16(22)13-6-7-14(18-8-13)21-10-17-9-19-21/h3-10H,1-2H3,(H,20,22)
InChIKeyFVVDIPZEOXIXRF-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 3358011) is N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is FVVDIPZEOXIXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-4-3-5-12(2)15(11)20-16(22)13-6-7-14(18-8-13)21-10-17-9-19-21/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3358011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).