3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide

C17H18N4O2 — CID 53190407

IUPAC3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccn3nc(C(C)C)nc23)c1
InChIInChI=1S/C17H18N4O2/c1-11(2)15-19-16-14(8-5-9-21(16)20-15)18-17(22)12-6-4-7-13(10-12)23-3/h4-11H,1-3H3,(H,18,22)
InChIKeyKGLQERNZXKBKMQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.11
Rot. Bonds4

About 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide

3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide (PubChem CID 53190407) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
PubChem CID53190407
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccn3nc(C(C)C)nc23)c1
InChIInChI=1S/C17H18N4O2/c1-11(2)15-19-16-14(8-5-9-21(16)20-15)18-17(22)12-6-4-7-13(10-12)23-3/h4-11H,1-3H3,(H,18,22)
InChIKeyKGLQERNZXKBKMQ-UHFFFAOYSA-N
XLogP3.11
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
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2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
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N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
CID 86643870
3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
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3-methoxy-N-(2-methyltriazol-4-yl)benzamide
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2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide (CID 53190407) is 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide is COc1cccc(C(=O)Nc2cccn3nc(C(C)C)nc23)c1.
What is the InChIKey of 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The InChIKey is KGLQERNZXKBKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(2)15-19-16-14(8-5-9-21(16)20-15)18-17(22)12-6-4-7-13(10-12)23-3/h4-11H,1-3H3,(H,18,22).
What are the key properties of 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide has a molecular weight of 310.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide is sourced from PubChem (CID 53190407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).