N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

C22H21N5O2S — CID 71793894

IUPACN-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)c1nnn(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C22H21N5O2S/c1-29-14-13-26(16-18-10-7-15-30-18)22(28)20-21(19-11-5-6-12-23-19)27(25-24-20)17-8-3-2-4-9-17/h2-12,15H,13-14,16H2,1H3
InChIKeyKFQXXDMLVNOFQY-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.68
Rot. Bonds8

About N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 71793894) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID71793894
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)c1nnn(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C22H21N5O2S/c1-29-14-13-26(16-18-10-7-15-30-18)22(28)20-21(19-11-5-6-12-23-19)27(25-24-20)17-8-3-2-4-9-17/h2-12,15H,13-14,16H2,1H3
InChIKeyKFQXXDMLVNOFQY-UHFFFAOYSA-N
XLogP3.68
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 71793894) is N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is COCCN(Cc1cccs1)C(=O)c1nnn(-c2ccccc2)c1-c1ccccn1.
What is the InChIKey of N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is KFQXXDMLVNOFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-29-14-13-26(16-18-10-7-15-30-18)22(28)20-21(19-11-5-6-12-23-19)27(25-24-20)17-8-3-2-4-9-17/h2-12,15H,13-14,16H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-phenyl-5-pyridin-2-yl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 71793894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).