5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide

C18H19N5O — CID 167896225

IUPAC5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide
SMILESCCCc1ccccc1Cn1cc(-c2cncc(C(N)=O)c2)nn1
InChIInChI=1S/C18H19N5O/c1-2-5-13-6-3-4-7-14(13)11-23-12-17(21-22-23)15-8-16(18(19)24)10-20-9-15/h3-4,6-10,12H,2,5,11H2,1H3,(H2,19,24)
InChIKeyNDGWVZSGUXYXOS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.44
Rot. Bonds6

About 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide

5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide (PubChem CID 167896225) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide
PubChem CID167896225
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide
SMILESCCCc1ccccc1Cn1cc(-c2cncc(C(N)=O)c2)nn1
InChIInChI=1S/C18H19N5O/c1-2-5-13-6-3-4-7-14(13)11-23-12-17(21-22-23)15-8-16(18(19)24)10-20-9-15/h3-4,6-10,12H,2,5,11H2,1H3,(H2,19,24)
InChIKeyNDGWVZSGUXYXOS-UHFFFAOYSA-N
XLogP2.44
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide (CID 167896225) is 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide is CCCc1ccccc1Cn1cc(-c2cncc(C(N)=O)c2)nn1.
What is the InChIKey of 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide?
The InChIKey is NDGWVZSGUXYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-5-13-6-3-4-7-14(13)11-23-12-17(21-22-23)15-8-16(18(19)24)10-20-9-15/h3-4,6-10,12H,2,5,11H2,1H3,(H2,19,24).
What are the key properties of 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide?
5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).