6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C21H20FN3O4 — CID 109164761

IUPAC6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Nc3cccc(F)c3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H20FN3O4/c1-27-17-10-16(11-18(28-2)20(17)29-3)25-21(26)13-7-8-19(23-12-13)24-15-6-4-5-14(22)9-15/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyVJPHNXOLTVAGQW-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.24
Rot. Bonds7

About 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109164761) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109164761
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Nc3cccc(F)c3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H20FN3O4/c1-27-17-10-16(11-18(28-2)20(17)29-3)25-21(26)13-7-8-19(23-12-13)24-15-6-4-5-14(22)9-15/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyVJPHNXOLTVAGQW-UHFFFAOYSA-N
XLogP4.24
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenoxy-phenyl)-3-{3-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-2-ylamino}benzamide
CID 10233129
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
(3s)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 53495177
(3s)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 56596558
2-((2-acetamidopyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide
CID 44442396
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 25195369
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
4-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzaldehyde
CID 11710340
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 109164761) is 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(Nc3cccc(F)c3)nc2)cc(OC)c1OC.
What is the InChIKey of 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is VJPHNXOLTVAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-27-17-10-16(11-18(28-2)20(17)29-3)25-21(26)13-7-8-19(23-12-13)24-15-6-4-5-14(22)9-15/h4-12H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).