2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide

C18H19N5O3 — CID 146039964

IUPAC2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc(CC(N)=O)nc2-c2cc(C)ncc2OC)cc1
InChIInChI=1S/C18H19N5O3/c1-11-8-14(15(26-3)10-20-11)18-21-17(9-16(19)24)22-23(18)12-4-6-13(25-2)7-5-12/h4-8,10H,9H2,1-3H3,(H2,19,24)
InChIKeyCNOLFBVJUSTWLR-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.68
Rot. Bonds6

About 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide

2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146039964) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146039964
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc(CC(N)=O)nc2-c2cc(C)ncc2OC)cc1
InChIInChI=1S/C18H19N5O3/c1-11-8-14(15(26-3)10-20-11)18-21-17(9-16(19)24)22-23(18)12-4-6-13(25-2)7-5-12/h4-8,10H,9H2,1-3H3,(H2,19,24)
InChIKeyCNOLFBVJUSTWLR-UHFFFAOYSA-N
XLogP1.68
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 146038853
2-[5-[(1S,3S,4S)-4-amino-3-methoxycyclohexyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 155498067
2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide
CID 131932550
2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide
CID 67052553
5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine
CID 146040427
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 142218254
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
CID 60600774
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanamide
CID 106660291

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide (CID 146039964) is 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide is COc1ccc(-n2nc(CC(N)=O)nc2-c2cc(C)ncc2OC)cc1.
What is the InChIKey of 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CNOLFBVJUSTWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-8-14(15(26-3)10-20-11)18-21-17(9-16(19)24)22-23(18)12-4-6-13(25-2)7-5-12/h4-8,10H,9H2,1-3H3,(H2,19,24).
What are the key properties of 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146039964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).