5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide

C22H19N5O2 — CID 17052447

IUPAC5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCc3cccnc3)nn2-c2ccccc2)c1
InChIInChI=1S/C22H19N5O2/c1-29-19-11-5-8-17(13-19)21-25-20(26-27(21)18-9-3-2-4-10-18)22(28)24-15-16-7-6-12-23-14-16/h2-14H,15H2,1H3,(H,24,28)
InChIKeyWZVHJNCMYIPUNO-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.27
Rot. Bonds6

About 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide

5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 17052447) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
PubChem CID17052447
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCc3cccnc3)nn2-c2ccccc2)c1
InChIInChI=1S/C22H19N5O2/c1-29-19-11-5-8-17(13-19)21-25-20(26-27(21)18-9-3-2-4-10-18)22(28)24-15-16-7-6-12-23-14-16/h2-14H,15H2,1H3,(H,24,28)
InChIKeyWZVHJNCMYIPUNO-UHFFFAOYSA-N
XLogP3.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442
3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 100830411
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
1-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818182
1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 24538480
5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800225
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide (CID 17052447) is 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide is COc1cccc(-c2nc(C(=O)NCc3cccnc3)nn2-c2ccccc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WZVHJNCMYIPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-19-11-5-8-17(13-19)21-25-20(26-27(21)18-9-3-2-4-10-18)22(28)24-15-16-7-6-12-23-14-16/h2-14H,15H2,1H3,(H,24,28).
What are the key properties of 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 17052447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).