4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide

C21H16FN5O2 — CID 155517117

IUPAC4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-n3cc(-c4cccc(F)c4)nn3)cc2)ccn1
InChIInChI=1S/C21H16FN5O2/c1-23-21(28)19-12-18(9-10-24-19)29-17-7-5-16(6-8-17)27-13-20(25-26-27)14-3-2-4-15(22)11-14/h2-13H,1H3,(H,23,28)
InChIKeyKOAJUTMRMIJBSD-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 155517117) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID155517117
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-n3cc(-c4cccc(F)c4)nn3)cc2)ccn1
InChIInChI=1S/C21H16FN5O2/c1-23-21(28)19-12-18(9-10-24-19)29-17-7-5-16(6-8-17)27-13-20(25-26-27)14-3-2-4-15(22)11-14/h2-13H,1H3,(H,23,28)
InChIKeyKOAJUTMRMIJBSD-UHFFFAOYSA-N
XLogP3.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide 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 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (CID 155517117) is 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-n3cc(-c4cccc(F)c4)nn3)cc2)ccn1.
What is the InChIKey of 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is KOAJUTMRMIJBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-23-21(28)19-12-18(9-10-24-19)29-17-7-5-16(6-8-17)27-13-20(25-26-27)14-3-2-4-15(22)11-14/h2-13H,1H3,(H,23,28).
What are the key properties of 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155517117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).