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

C17H17N5O3 — CID 75420349

IUPAC3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C17H17N5O3/c1-11-10-12(16(18)24)5-6-13(11)19-15(23)7-9-22-17(25)21-8-3-2-4-14(21)20-22/h2-6,8,10H,7,9H2,1H3,(H2,18,24)(H,19,23)
InChIKeyBDTCKMPEMNPMOJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.93
Rot. Bonds5

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

3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide (PubChem CID 75420349) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide
PubChem CID75420349
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C17H17N5O3/c1-11-10-12(16(18)24)5-6-13(11)19-15(23)7-9-22-17(25)21-8-3-2-4-14(21)20-22/h2-6,8,10H,7,9H2,1H3,(H2,18,24)(H,19,23)
InChIKeyBDTCKMPEMNPMOJ-UHFFFAOYSA-N
XLogP0.93
TPSA111.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 71876746
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 166204329
N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 75395634
4-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-3-methylbenzamide
CID 98366787
methyl 4-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzoate
CID 42955994
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386
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
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
3-methyl-4-nitro-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55864810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide?
The IUPAC name of 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide (CID 75420349) is 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide.
What is the SMILES notation for 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide?
The canonical SMILES for 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide is Cc1cc(C(N)=O)ccc1NC(=O)CCn1nc2ccccn2c1=O.
What is the InChIKey of 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide?
The InChIKey is BDTCKMPEMNPMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-10-12(16(18)24)5-6-13(11)19-15(23)7-9-22-17(25)21-8-3-2-4-14(21)20-22/h2-6,8,10H,7,9H2,1H3,(H2,18,24)(H,19,23).
What are the key properties of 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide?
3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide has a molecular weight of 339.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 75420349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).