N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H19ClN4O — CID 134800339

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nnc(CC3CC3)n2c1
InChIInChI=1S/C19H19ClN4O/c20-16-6-3-13(4-7-16)9-10-21-19(25)15-5-8-17-22-23-18(24(17)12-15)11-14-1-2-14/h3-8,12,14H,1-2,9-11H2,(H,21,25)
InChIKeyRNOIBHBHDHJLDJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134800339) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134800339
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nnc(CC3CC3)n2c1
InChIInChI=1S/C19H19ClN4O/c20-16-6-3-13(4-7-16)9-10-21-19(25)15-5-8-17-22-23-18(24(17)12-15)11-14-1-2-14/h3-8,12,14H,1-2,9-11H2,(H,21,25)
InChIKeyRNOIBHBHDHJLDJ-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[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

Related Compounds

3-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799949
N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800728
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134803137
N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 84614345
N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 84614323
3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134788032
3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796654
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134800339) is N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2nnc(CC3CC3)n2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RNOIBHBHDHJLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-16-6-3-13(4-7-16)9-10-21-19(25)15-5-8-17-22-23-18(24(17)12-15)11-14-1-2-14/h3-8,12,14H,1-2,9-11H2,(H,21,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134800339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).