3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C17H17ClN4O — CID 51278349

IUPAC3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(Cl)cc1)c1nnc2ccccn12
InChIInChI=1S/C17H17ClN4O/c1-12(17-21-20-15-4-2-3-11-22(15)17)19-16(23)10-7-13-5-8-14(18)9-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,23)
InChIKeyPSSFTLQQOXUIDK-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.19
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 51278349) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID51278349
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(Cl)cc1)c1nnc2ccccn12
InChIInChI=1S/C17H17ClN4O/c1-12(17-21-20-15-4-2-3-11-22(15)17)19-16(23)10-7-13-5-8-14(18)9-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,23)
InChIKeyPSSFTLQQOXUIDK-UHFFFAOYSA-N
XLogP3.19
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide 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

2-(4-chlorophenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030745
3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 134030650
4-chloro-N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butyl]benzamide
CID 51247725
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
CID 43703569
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 71828148
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
2-(6-methyl-3-pyridinyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 95285831

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 51278349) is 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is CC(NC(=O)CCc1ccc(Cl)cc1)c1nnc2ccccn12.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is PSSFTLQQOXUIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-12(17-21-20-15-4-2-3-11-22(15)17)19-16(23)10-7-13-5-8-14(18)9-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,23).
What are the key properties of 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 328.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 51278349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).