1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide

C22H21N5O2S — CID 71793950

IUPAC1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide
SMILESCCC(NC(=O)c1nnn(-c2ccccc2OC)c1-c1ccccn1)c1cccs1
InChIInChI=1S/C22H21N5O2S/c1-3-15(19-12-8-14-30-19)24-22(28)20-21(16-9-6-7-13-23-16)27(26-25-20)17-10-4-5-11-18(17)29-2/h4-15H,3H2,1-2H3,(H,24,28)
InChIKeyDXWIKWCIHJSZSF-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.28
Rot. Bonds7

About 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide

1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide (PubChem CID 71793950) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide
PubChem CID71793950
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide
SMILESCCC(NC(=O)c1nnn(-c2ccccc2OC)c1-c1ccccn1)c1cccs1
InChIInChI=1S/C22H21N5O2S/c1-3-15(19-12-8-14-30-19)24-22(28)20-21(16-9-6-7-13-23-16)27(26-25-20)17-10-4-5-11-18(17)29-2/h4-15H,3H2,1-2H3,(H,24,28)
InChIKeyDXWIKWCIHJSZSF-UHFFFAOYSA-N
XLogP4.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980596
N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide
CID 155515784
N-[2-[4-(2-methoxyphenyl)piperazino]-1-methyl-2-(2-thienyl)ethyl]nicotinamide
CID 16194545
3-Amino-n-(2-methoxyphenyl)-6-(thiophen-2-yl)pyrazine-2-carboxamide
CID 59471844
1-(2-methoxyphenyl)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 71793941
2-(2,4-dioxo-3-(thiophen-2-ylmethyl)-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl)-N-(2-methoxyphenyl)acetamide
CID 16841946
1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 27242858
N-(3-methoxybenzyl)-1-(4-(methylthio)phenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 49665646
N-(2-methoxyphenyl)-6-(3-thienyl)nicotinamide
CID 53149675
1-(2-methoxyphenyl)-N-[3-(1H-pyrazol-1-yl)propyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 71793947
1-(2-methoxyphenyl)-N-(4-(methylsulfonyl)phenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
CID 76146566
3-(3-fluoro-2-methoxyanilino)-2-(2-methoxythieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235506

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide (CID 71793950) is 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide is CCC(NC(=O)c1nnn(-c2ccccc2OC)c1-c1ccccn1)c1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
The InChIKey is DXWIKWCIHJSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-3-15(19-12-8-14-30-19)24-22(28)20-21(16-9-6-7-13-23-16)27(26-25-20)17-10-4-5-11-18(17)29-2/h4-15H,3H2,1-2H3,(H,24,28).
What are the key properties of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 71793950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).