3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide

C21H20FN3O4 — CID 113036517

IUPAC3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H20FN3O4/c1-27-17-10-16(11-18(28-2)20(17)29-3)24-15-7-8-19(23-12-15)25-21(26)13-5-4-6-14(22)9-13/h4-12,24H,1-3H3,(H,23,25,26)
InChIKeyGYSQBFFVKJQVMY-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.24
Rot. Bonds7

About 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide

3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide (PubChem CID 113036517) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
PubChem CID113036517
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H20FN3O4/c1-27-17-10-16(11-18(28-2)20(17)29-3)24-15-7-8-19(23-12-15)25-21(26)13-5-4-6-14(22)9-13/h4-12,24H,1-3H3,(H,23,25,26)
InChIKeyGYSQBFFVKJQVMY-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-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide (CID 113036517) is 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide is COc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)nc2)cc(OC)c1OC.
What is the InChIKey of 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide?
The InChIKey is GYSQBFFVKJQVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-27-17-10-16(11-18(28-2)20(17)29-3)24-15-7-8-19(23-12-15)25-21(26)13-5-4-6-14(22)9-13/h4-12,24H,1-3H3,(H,23,25,26).
What are the key properties of 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide?
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide 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 3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113036517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).