1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide

C25H25N5O3 — CID 53332564

IUPAC1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1
InChIInChI=1S/C25H25N5O3/c1-3-15-33-21-9-7-18(8-10-21)17-27-25(31)23-24(19-11-13-26-14-12-19)30(29-28-23)20-5-4-6-22(16-20)32-2/h4-14,16H,3,15,17H2,1-2H3,(H,27,31)
InChIKeyDWXUCOLPNUHTTO-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.06
Rot. Bonds9

About 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide

1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide (PubChem CID 53332564) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
PubChem CID53332564
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1
InChIInChI=1S/C25H25N5O3/c1-3-15-33-21-9-7-18(8-10-21)17-27-25(31)23-24(19-11-13-26-14-12-19)30(29-28-23)20-5-4-6-22(16-20)32-2/h4-14,16H,3,15,17H2,1-2H3,(H,27,31)
InChIKeyDWXUCOLPNUHTTO-UHFFFAOYSA-N
XLogP4.06
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-[(3-methoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 53123727
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 122172046
N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123710
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 45498531
1-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 45498528
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123694
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 95091546
1-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 53123737
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-pyridin-4-yltriazole-4-carboxamide
CID 53123513
N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548
N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123691
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide (CID 53332564) is 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide is CCCOc1ccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide?
The InChIKey is DWXUCOLPNUHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-3-15-33-21-9-7-18(8-10-21)17-27-25(31)23-24(19-11-13-26-14-12-19)30(29-28-23)20-5-4-6-22(16-20)32-2/h4-14,16H,3,15,17H2,1-2H3,(H,27,31).
What are the key properties of 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide?
1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 53332564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).