5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide

C23H16N6O — CID 166211564

IUPAC5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccc3ccccc3n2)n1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C23H16N6O/c30-22(18-12-17(13-24-14-18)15-6-2-1-3-7-15)27-23-26-21(28-29-23)20-11-10-16-8-4-5-9-19(16)25-20/h1-14H,(H2,26,27,28,29,30)
InChIKeyWIOXMWXAZWESLN-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.33
Rot. Bonds4

About 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide

5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide (PubChem CID 166211564) has the molecular formula C23H16N6O and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
PubChem CID166211564
Molecular FormulaC23H16N6O
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccc3ccccc3n2)n1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C23H16N6O/c30-22(18-12-17(13-24-14-18)15-6-2-1-3-7-15)27-23-26-21(28-29-23)20-11-10-16-8-4-5-9-19(16)25-20/h1-14H,(H2,26,27,28,29,30)
InChIKeyWIOXMWXAZWESLN-UHFFFAOYSA-N
XLogP4.33
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-diphenylpyridine-3-carboxamide
CID 110683714
2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 167880699
5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 86992070
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
3-quinolin-2-ylbenzohydrazide
CID 174752965
N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide
CID 141273596
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
5-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 79003749

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide (CID 166211564) is 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide is O=C(Nc1n[nH]c(-c2ccc3ccccc3n2)n1)c1cncc(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The InChIKey is WIOXMWXAZWESLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O/c30-22(18-12-17(13-24-14-18)15-6-2-1-3-7-15)27-23-26-21(28-29-23)20-11-10-16-8-4-5-9-19(16)25-20/h1-14H,(H2,26,27,28,29,30).
What are the key properties of 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166211564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).