N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide

C18H14N6O — CID 121195947

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N6O/c25-18(17-6-5-13-3-1-2-4-16(13)21-17)20-11-14-12-24(23-22-14)15-7-9-19-10-8-15/h1-10,12H,11H2,(H,20,25)
InChIKeyUXBFKUKQQPCNEL-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.14
Rot. Bonds4

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide (PubChem CID 121195947) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
PubChem CID121195947
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N6O/c25-18(17-6-5-13-3-1-2-4-16(13)21-17)20-11-14-12-24(23-22-14)15-7-9-19-10-8-15/h1-10,12H,11H2,(H,20,25)
InChIKeyUXBFKUKQQPCNEL-UHFFFAOYSA-N
XLogP2.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-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-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 121195997
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
CID 121195822
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195791
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 121196000

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide (CID 121195947) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide is O=C(NCc1cn(-c2ccncc2)nn1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide?
The InChIKey is UXBFKUKQQPCNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c25-18(17-6-5-13-3-1-2-4-16(13)21-17)20-11-14-12-24(23-22-14)15-7-9-19-10-8-15/h1-10,12H,11H2,(H,20,25).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 121195947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).