3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide

C19H16N4OS — CID 47013045

IUPAC3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-c1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C19H16N4OS/c1-13(18-22-21-16-9-5-6-11-23(16)18)20-19(24)17-15(10-12-25-17)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,24)
InChIKeyDHLAFUJRVXYUHX-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.95
Rot. Bonds4

About 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide

3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 47013045) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID47013045
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-c1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C19H16N4OS/c1-13(18-22-21-16-9-5-6-11-23(16)18)20-19(24)17-15(10-12-25-17)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,24)
InChIKeyDHLAFUJRVXYUHX-UHFFFAOYSA-N
XLogP3.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 26884680
2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 134030786
3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932
5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 78154443
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide (CID 47013045) is 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1sccc1-c1ccccc1)c1nnc2ccccn12.
What is the InChIKey of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is DHLAFUJRVXYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13(18-22-21-16-9-5-6-11-23(16)18)20-19(24)17-15(10-12-25-17)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,24).
What are the key properties of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47013045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).