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

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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).