3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide

C16H16N4O3 — CID 71682528

IUPAC3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccn3c(=O)[nH]nc23)cc1
InChIInChI=1S/C16H16N4O3/c1-23-12-7-4-11(5-8-12)6-9-14(21)17-13-3-2-10-20-15(13)18-19-16(20)22/h2-5,7-8,10H,6,9H2,1H3,(H,17,21)(H,19,22)
InChIKeyZJAAPJSMGYHNPK-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.60
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide

3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide (PubChem CID 71682528) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
PubChem CID71682528
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccn3c(=O)[nH]nc23)cc1
InChIInChI=1S/C16H16N4O3/c1-23-12-7-4-11(5-8-12)6-9-14(21)17-13-3-2-10-20-15(13)18-19-16(20)22/h2-5,7-8,10H,6,9H2,1H3,(H,17,21)(H,19,22)
InChIKeyZJAAPJSMGYHNPK-UHFFFAOYSA-N
XLogP1.60
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190532
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N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
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N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 154770900
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
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CID 19221044
3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide
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3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
CID 16933458
N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 136536829
N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
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N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide (CID 71682528) is 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide is COc1ccc(CCC(=O)Nc2cccn3c(=O)[nH]nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide?
The InChIKey is ZJAAPJSMGYHNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-12-7-4-11(5-8-12)6-9-14(21)17-13-3-2-10-20-15(13)18-19-16(20)22/h2-5,7-8,10H,6,9H2,1H3,(H,17,21)(H,19,22).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide?
3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide has a molecular weight of 312.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide is sourced from PubChem (CID 71682528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).