6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide

C20H18FN3O3 — CID 109163225

IUPAC6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3F)cn2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-17-9-8-14(11-18(17)27-2)23-19-10-7-13(12-22-19)20(25)24-16-6-4-3-5-15(16)21/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyIHPUFVIVTHXDIF-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.23
Rot. Bonds6

About 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide

6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109163225) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID109163225
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3F)cn2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-17-9-8-14(11-18(17)27-2)23-19-10-7-13(12-22-19)20(25)24-16-6-4-3-5-15(16)21/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyIHPUFVIVTHXDIF-UHFFFAOYSA-N
XLogP4.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
6-(3,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163247
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-(3,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164336
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
N-(2-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157086
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 109163225) is 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccccc3F)cn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is IHPUFVIVTHXDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-17-9-8-14(11-18(17)27-2)23-19-10-7-13(12-22-19)20(25)24-16-6-4-3-5-15(16)21/h3-12H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).