2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

C19H19N5O — CID 155818571

IUPAC2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3CC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C19H19N5O/c1-24-12-18(22-23-24)17-11-14(19(25)21-15-7-8-15)10-16(20-17)9-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3,(H,21,25)
InChIKeyNUQGANYMFKALLD-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.36
Rot. Bonds5

About 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (PubChem CID 155818571) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
PubChem CID155818571
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3CC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C19H19N5O/c1-24-12-18(22-23-24)17-11-14(19(25)21-15-7-8-15)10-16(20-17)9-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3,(H,21,25)
InChIKeyNUQGANYMFKALLD-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (CID 155818571) is 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)NC3CC3)cc(Cc3ccccc3)n2)nn1.
What is the InChIKey of 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The InChIKey is NUQGANYMFKALLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-24-12-18(22-23-24)17-11-14(19(25)21-15-7-8-15)10-16(20-17)9-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3,(H,21,25).
What are the key properties of 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-cyclopropyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155818571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).