N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C20H24N6O — CID 77088444

IUPACN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1nccn1CCC(NC(=O)c1nnc2n1CCCC2)c1ccccc1
InChIInChI=1S/C20H24N6O/c1-15-21-11-14-25(15)13-10-17(16-7-3-2-4-8-16)22-20(27)19-24-23-18-9-5-6-12-26(18)19/h2-4,7-8,11,14,17H,5-6,9-10,12-13H2,1H3,(H,22,27)
InChIKeyALNGFXDXKCHAST-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.68
Rot. Bonds6

About N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 77088444) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID77088444
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1nccn1CCC(NC(=O)c1nnc2n1CCCC2)c1ccccc1
InChIInChI=1S/C20H24N6O/c1-15-21-11-14-25(15)13-10-17(16-7-3-2-4-8-16)22-20(27)19-24-23-18-9-5-6-12-26(18)19/h2-4,7-8,11,14,17H,5-6,9-10,12-13H2,1H3,(H,22,27)
InChIKeyALNGFXDXKCHAST-UHFFFAOYSA-N
XLogP2.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]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 N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 77088444) is N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1nccn1CCC(NC(=O)c1nnc2n1CCCC2)c1ccccc1.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is ALNGFXDXKCHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-21-11-14-25(15)13-10-17(16-7-3-2-4-8-16)22-20(27)19-24-23-18-9-5-6-12-26(18)19/h2-4,7-8,11,14,17H,5-6,9-10,12-13H2,1H3,(H,22,27).
What are the key properties of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 77088444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).