N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C21H16FN5O2 — CID 60525782

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C21H16FN5O2/c22-17-3-7-19(8-4-17)29-18-5-1-15(2-6-18)12-25-21(28)16-9-10-24-20(11-16)27-14-23-13-26-27/h1-11,13-14H,12H2,(H,25,28)
InChIKeyHONGWPJTJHSYNB-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.52
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60525782) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID60525782
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C21H16FN5O2/c22-17-3-7-19(8-4-17)29-18-5-1-15(2-6-18)12-25-21(28)16-9-10-24-20(11-16)27-14-23-13-26-27/h1-11,13-14H,12H2,(H,25,28)
InChIKeyHONGWPJTJHSYNB-UHFFFAOYSA-N
XLogP3.52
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091815
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-(2-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 47070401
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
[4-[[[2-[4-(4-fluorophenoxy)phenyl]pyridine-4-carbonyl]amino]methyl]phenyl]-trimethylazanium
CID 71566411
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
N-(2-phenoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525572
N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479843
N-[(4-fluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600328
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60525782) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is HONGWPJTJHSYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-17-3-7-19(8-4-17)29-18-5-1-15(2-6-18)12-25-21(28)16-9-10-24-20(11-16)27-14-23-13-26-27/h1-11,13-14H,12H2,(H,25,28).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60525782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).