N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H22N4O2 — CID 56784496

IUPACN-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCN(C(=O)c1ccc2nncn2c1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H22N4O2/c1-4-23(14(2)11-15-5-8-17(25-3)9-6-15)19(24)16-7-10-18-21-20-13-22(18)12-16/h5-10,12-14H,4,11H2,1-3H3
InChIKeyIMTFDMREMGVAGP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 56784496) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID56784496
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCN(C(=O)c1ccc2nncn2c1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H22N4O2/c1-4-23(14(2)11-15-5-8-17(25-3)9-6-15)19(24)16-7-10-18-21-20-13-22(18)12-16/h5-10,12-14H,4,11H2,1-3H3
InChIKeyIMTFDMREMGVAGP-UHFFFAOYSA-N
XLogP2.83
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-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-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 56784496) is N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCN(C(=O)c1ccc2nncn2c1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is IMTFDMREMGVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-23(14(2)11-15-5-8-17(25-3)9-6-15)19(24)16-7-10-18-21-20-13-22(18)12-16/h5-10,12-14H,4,11H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 56784496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).