4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

C21H20FN3O4 — CID 109222452

IUPAC4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H20FN3O4/c1-27-18-11-16(12-19(28-2)20(18)29-3)25-21(26)17-10-15(7-8-23-17)24-14-6-4-5-13(22)9-14/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyMYPFJPIXBSILPB-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.24
Rot. Bonds7

About 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109222452) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109222452
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H20FN3O4/c1-27-18-11-16(12-19(28-2)20(18)29-3)25-21(26)17-10-15(7-8-23-17)24-14-6-4-5-13(22)9-14/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyMYPFJPIXBSILPB-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-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109222036
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219115
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049
methyl 4-chloro-3-[[2-[(3-fluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222323
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (CID 109222452) is 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)cc(OC)c1OC.
What is the InChIKey of 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is MYPFJPIXBSILPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-27-18-11-16(12-19(28-2)20(18)29-3)25-21(26)17-10-15(7-8-23-17)24-14-6-4-5-13(22)9-14/h4-12H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-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 4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).