1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

C20H14N6O — CID 137375514

IUPAC1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1C#N
InChIInChI=1S/C20H14N6O/c1-13-19(24-25-26(13)17-9-5-3-7-15(17)12-21)20(27)23-18-11-10-14-6-2-4-8-16(14)22-18/h2-11H,1H3,(H,22,23,27)
InChIKeyTWEXRDJPZKBFFO-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375514) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375514
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1C#N
InChIInChI=1S/C20H14N6O/c1-13-19(24-25-26(13)17-9-5-3-7-15(17)12-21)20(27)23-18-11-10-14-6-2-4-8-16(14)22-18/h2-11H,1H3,(H,22,23,27)
InChIKeyTWEXRDJPZKBFFO-UHFFFAOYSA-N
XLogP3.25
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375507
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515
1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375523
N-(6-bromoquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 137375531
5-Methyl-1-phenyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375534
5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375539
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 137375547
5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
CID 137375551
1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375552
5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
CID 137375558

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (CID 137375514) is 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is TWEXRDJPZKBFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c1-13-19(24-25-26(13)17-9-5-3-7-15(17)12-21)20(27)23-18-11-10-14-6-2-4-8-16(14)22-18/h2-11H,1H3,(H,22,23,27).
What are the key properties of 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).