4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide

C18H21N5O2 — CID 51094949

IUPAC4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide
SMILESCCN(C)c1ccc(C(=O)NCCn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C18H21N5O2/c1-3-21(2)15-9-7-14(8-10-15)17(24)19-11-13-23-18(25)22-12-5-4-6-16(22)20-23/h4-10,12H,3,11,13H2,1-2H3,(H,19,24)
InChIKeySLQJHNVTPDHQBD-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.38
Rot. Bonds6

About 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide

4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide (PubChem CID 51094949) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide
PubChem CID51094949
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide
SMILESCCN(C)c1ccc(C(=O)NCCn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C18H21N5O2/c1-3-21(2)15-9-7-14(8-10-15)17(24)19-11-13-23-18(25)22-12-5-4-6-16(22)20-23/h4-10,12H,3,11,13H2,1-2H3,(H,19,24)
InChIKeySLQJHNVTPDHQBD-UHFFFAOYSA-N
XLogP1.38
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide
CID 51091181
3-methyl-4-nitro-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55864810
2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43065476
[4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 55863507
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 95327050
2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 87019419
3-methyl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]butanoic acid
CID 43468685
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide?
The IUPAC name of 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide (CID 51094949) is 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide is CCN(C)c1ccc(C(=O)NCCn2nc3ccccn3c2=O)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide?
The InChIKey is SLQJHNVTPDHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-21(2)15-9-7-14(8-10-15)17(24)19-11-13-23-18(25)22-12-5-4-6-16(22)20-23/h4-10,12H,3,11,13H2,1-2H3,(H,19,24).
What are the key properties of 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide?
4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide is sourced from PubChem (CID 51094949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).