2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide

C19H22N4O3 — CID 153065968

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C19H22N4O3/c1-13(2)26-16-9-7-15(8-10-16)14(3)20-18(24)12-23-19(25)22-11-5-4-6-17(22)21-23/h4-11,13-14H,12H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyVKJQEVCYTPJVTO-AWEZNQCLSA-N
MW354.41 g/mol
LogP2.16
Rot. Bonds6

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 153065968) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID153065968
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C19H22N4O3/c1-13(2)26-16-9-7-15(8-10-16)14(3)20-18(24)12-23-19(25)22-11-5-4-6-17(22)21-23/h4-11,13-14H,12H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyVKJQEVCYTPJVTO-AWEZNQCLSA-N
XLogP2.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007075
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
N-(2-methylpropoxy)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115410231
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 102556137
2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-2-phenylacetamide
CID 56807759
N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
N-(2-amino-1-cyclohexylethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride
CID 119591908
N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007085
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
2-hydroxy-3-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanamide
CID 107261312
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 153065968) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is VKJQEVCYTPJVTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(2)26-16-9-7-15(8-10-16)14(3)20-18(24)12-23-19(25)22-11-5-4-6-17(22)21-23/h4-11,13-14H,12H2,1-3H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 153065968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).