2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C25H24ClN5O3 — CID 53128499

IUPAC2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3nn(CC(=O)NCCc4ccc(Cl)cc4)c(=O)n3c2)cc1
InChIInChI=1S/C25H24ClN5O3/c1-17-2-4-19(5-3-17)14-28-24(33)20-8-11-22-29-31(25(34)30(22)15-20)16-23(32)27-13-12-18-6-9-21(26)10-7-18/h2-11,15H,12-14,16H2,1H3,(H,27,32)(H,28,33)
InChIKeyYKPWBOFSHOUWEL-UHFFFAOYSA-N
MW477.95 g/mol
LogP2.75
Rot. Bonds8

About 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 53128499) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID53128499
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC Name2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3nn(CC(=O)NCCc4ccc(Cl)cc4)c(=O)n3c2)cc1
InChIInChI=1S/C25H24ClN5O3/c1-17-2-4-19(5-3-17)14-28-24(33)20-8-11-22-29-31(25(34)30(22)15-20)16-23(32)27-13-12-18-6-9-21(26)10-7-18/h2-11,15H,12-14,16H2,1H3,(H,27,32)(H,28,33)
InChIKeyYKPWBOFSHOUWEL-UHFFFAOYSA-N
XLogP2.75
TPSA97.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128510
N-benzyl-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128417
N-benzyl-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128434
2-[2-(3,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 22425606
ethyl 4-[[2-[6-(benzylcarbamoyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetyl]amino]benzoate
CID 53128391
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-benzyl-2-[2-(4-methylsulfonylanilino)-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128452
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509911
N-[2-(4-chlorophenyl)ethyl]-2-(5-oxo-11-pyrrolidin-1-yl-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl)acetamide
CID 50845022
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
3-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799949

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 53128499) is 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)NCCc4ccc(Cl)cc4)c(=O)n3c2)cc1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is YKPWBOFSHOUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-17-2-4-19(5-3-17)14-28-24(33)20-8-11-22-29-31(25(34)30(22)15-20)16-23(32)27-13-12-18-6-9-21(26)10-7-18/h2-11,15H,12-14,16H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 53128499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).