ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen

C17H21N5O — CID 166481214

IUPACethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
SMILESCC.Cc1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1.[H][H]
InChIInChI=1S/C15H13N5O.C2H6.H2/c1-11-2-4-13(5-3-11)19-15(21)12-6-7-16-14(8-12)20-9-17-18-10-20;1-2;/h2-10H,1H3,(H,19,21);1-2H3;1H
InChIKeyWYFXHSBBVOJGGQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.50
Rot. Bonds3

About ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen

ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen (PubChem CID 166481214) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
PubChem CID166481214
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Nameethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
SMILESCC.Cc1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1.[H][H]
InChIInChI=1S/C15H13N5O.C2H6.H2/c1-11-2-4-13(5-3-11)19-15(21)12-6-7-16-14(8-12)20-9-17-18-10-20;1-2;/h2-10H,1H3,(H,19,21);1-2H3;1H
InChIKeyWYFXHSBBVOJGGQ-UHFFFAOYSA-N
XLogP3.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoic acid
CID 5306824
N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497099
N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497093
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 46993374
N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 156586925
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen (CID 166481214) is ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen is CC.Cc1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1.[H][H].
What is the InChIKey of ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen?
The InChIKey is WYFXHSBBVOJGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O.C2H6.H2/c1-11-2-4-13(5-3-11)19-15(21)12-6-7-16-14(8-12)20-9-17-18-10-20;1-2;/h2-10H,1H3,(H,19,21);1-2H3;1H.
What are the key properties of ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen?
ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen has a molecular weight of 311.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 166481214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).