N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide

C21H21FN4O2 — CID 91889128

IUPACN-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc1F
InChIInChI=1S/C21H21FN4O2/c1-14-5-8-16(12-18(14)22)23-20(27)13-28-17-9-6-15(7-10-17)21-25-24-19-4-2-3-11-26(19)21/h5-10,12H,2-4,11,13H2,1H3,(H,23,27)
InChIKeyQHSRVTHGVPZACL-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.75
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide

N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (PubChem CID 91889128) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
PubChem CID91889128
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc1F
InChIInChI=1S/C21H21FN4O2/c1-14-5-8-16(12-18(14)22)23-20(27)13-28-17-9-6-15(7-10-17)21-25-24-19-4-2-3-11-26(19)21/h5-10,12H,2-4,11,13H2,1H3,(H,23,27)
InChIKeyQHSRVTHGVPZACL-UHFFFAOYSA-N
XLogP3.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (CID 91889128) is N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The InChIKey is QHSRVTHGVPZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-5-8-16(12-18(14)22)23-20(27)13-28-17-9-6-15(7-10-17)21-25-24-19-4-2-3-11-26(19)21/h5-10,12H,2-4,11,13H2,1H3,(H,23,27).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide has a molecular weight of 380.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is sourced from PubChem (CID 91889128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).