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

C21H16FN5O2 — CID 155558367

IUPAC4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-n3cc(-c4ccccc4F)nn3)cc2)ccn1
InChIInChI=1S/C21H16FN5O2/c1-23-21(28)19-12-16(10-11-24-19)29-15-8-6-14(7-9-15)27-13-20(25-26-27)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,23,28)
InChIKeyODLWMFIBNZWLFP-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.62
Rot. Bonds5

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

4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 155558367) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID155558367
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-n3cc(-c4ccccc4F)nn3)cc2)ccn1
InChIInChI=1S/C21H16FN5O2/c1-23-21(28)19-12-16(10-11-24-19)29-15-8-6-14(7-9-15)27-13-20(25-26-27)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,23,28)
InChIKeyODLWMFIBNZWLFP-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (CID 155558367) is 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-n3cc(-c4ccccc4F)nn3)cc2)ccn1.
What is the InChIKey of 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is ODLWMFIBNZWLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-23-21(28)19-12-16(10-11-24-19)29-15-8-6-14(7-9-15)27-13-20(25-26-27)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,23,28).
What are the key properties of 4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[4-(2-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-(2-fluorophenyl)triazol-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155558367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).