4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide

C19H13F4N3O2 — CID 122539652

IUPAC4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H13F4N3O2/c20-13-4-2-12(3-5-13)14-7-15(18(24)27)25-9-16(14)28-10-11-1-6-17(26-8-11)19(21,22)23/h1-9H,10H2,(H2,24,27)
InChIKeyXSFVPVQRLFHLSZ-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.98
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide (PubChem CID 122539652) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
PubChem CID122539652
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC Name4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H13F4N3O2/c20-13-4-2-12(3-5-13)14-7-15(18(24)27)25-9-16(14)28-10-11-1-6-17(26-8-11)19(21,22)23/h1-9H,10H2,(H2,24,27)
InChIKeyXSFVPVQRLFHLSZ-UHFFFAOYSA-N
XLogP3.98
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Suvecaltamide
CID 24765479
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 45375925
2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173
5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
5-(Trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 1478724
6-[4-(4-Fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 10340527
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 46191662
CID 53240812
CID 53240812
CID 53241933
CID 53241933

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide (CID 122539652) is 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The InChIKey is XSFVPVQRLFHLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-13-4-2-12(3-5-13)14-7-15(18(24)27)25-9-16(14)28-10-11-1-6-17(26-8-11)19(21,22)23/h1-9H,10H2,(H2,24,27).
What are the key properties of 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide has a molecular weight of 391.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).