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

C19H19ClN4O2 — CID 100906527

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESO=C(CCn1nc2ccccn2c1=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-15-6-4-14(5-7-15)19(9-10-19)13-21-17(25)8-12-24-18(26)23-11-2-1-3-16(23)22-24/h1-7,11H,8-10,12-13H2,(H,21,25)
InChIKeyDQNTZVQYXIPVQR-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.39
Rot. Bonds6

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

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (PubChem CID 100906527) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
PubChem CID100906527
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESO=C(CCn1nc2ccccn2c1=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-15-6-4-14(5-7-15)19(9-10-19)13-21-17(25)8-12-24-18(26)23-11-2-1-3-16(23)22-24/h1-7,11H,8-10,12-13H2,(H,21,25)
InChIKeyDQNTZVQYXIPVQR-UHFFFAOYSA-N
XLogP2.39
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)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

N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 75395634
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007085
2-[4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215156
N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide
CID 78852045
4-(3-chlorophenyl)-N-[6-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)hexyl]piperazine-1-carboxamide
CID 163409061
2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (CID 100906527) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is O=C(CCn1nc2ccccn2c1=O)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The InChIKey is DQNTZVQYXIPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-6-4-14(5-7-15)19(9-10-19)13-21-17(25)8-12-24-18(26)23-11-2-1-3-16(23)22-24/h1-7,11H,8-10,12-13H2,(H,21,25).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide has a molecular weight of 370.84 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is sourced from PubChem (CID 100906527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).