N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C22H19N5O3 — CID 55763737

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C22H19N5O3/c1-29-18-8-10-19(11-9-18)30-22-20(3-2-12-24-22)26-21(28)17-6-4-16(5-7-17)13-27-15-23-14-25-27/h2-12,14-15H,13H2,1H3,(H,26,28)
InChIKeyPAWVLCANHQFGJV-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 55763737) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID55763737
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C22H19N5O3/c1-29-18-8-10-19(11-9-18)30-22-20(3-2-12-24-22)26-21(28)17-6-4-16(5-7-17)13-27-15-23-14-25-27/h2-12,14-15H,13H2,1H3,(H,26,28)
InChIKeyPAWVLCANHQFGJV-UHFFFAOYSA-N
XLogP3.77
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
2-(4-bromophenoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 55931625
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55663053
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55765878
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55873301
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 55763737) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is COc1ccc(Oc2ncccc2NC(=O)c2ccc(Cn3cncn3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is PAWVLCANHQFGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-29-18-8-10-19(11-9-18)30-22-20(3-2-12-24-22)26-21(28)17-6-4-16(5-7-17)13-27-15-23-14-25-27/h2-12,14-15H,13H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 401.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55763737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).