N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide

C19H22N4O2 — CID 155549467

IUPACN-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide
SMILESCOc1cccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cn3n2)c1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)11-17(24)20-14-8-9-16-21-18(22-23(16)12-14)13-6-5-7-15(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,20,24)
InChIKeyULDLMPKZAMBESI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.78
Rot. Bonds4

About N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide

N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide (PubChem CID 155549467) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide
PubChem CID155549467
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide
SMILESCOc1cccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cn3n2)c1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)11-17(24)20-14-8-9-16-21-18(22-23(16)12-14)13-6-5-7-15(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,20,24)
InChIKeyULDLMPKZAMBESI-UHFFFAOYSA-N
XLogP3.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide (CID 155549467) is N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide is COc1cccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cn3n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide?
The InChIKey is ULDLMPKZAMBESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)11-17(24)20-14-8-9-16-21-18(22-23(16)12-14)13-6-5-7-15(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide?
N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide has a molecular weight of 338.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 155549467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).