5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

C21H19F2N3O3 — CID 109237922

IUPAC5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-19-6-3-13(7-20(19)29-2)10-25-21(27)14-8-16(12-24-11-14)26-15-4-5-17(22)18(23)9-15/h3-9,11-12,26H,10H2,1-2H3,(H,25,27)
InChIKeyWQZZEXGLHPKYCP-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.05
Rot. Bonds7

About 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109237922) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109237922
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-19-6-3-13(7-20(19)29-2)10-25-21(27)14-8-16(12-24-11-14)26-15-4-5-17(22)18(23)9-15/h3-9,11-12,26H,10H2,1-2H3,(H,25,27)
InChIKeyWQZZEXGLHPKYCP-UHFFFAOYSA-N
XLogP4.05
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232108
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245690
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (CID 109237922) is 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)cc1OC.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WQZZEXGLHPKYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-19-6-3-13(7-20(19)29-2)10-25-21(27)14-8-16(12-24-11-14)26-15-4-5-17(22)18(23)9-15/h3-9,11-12,26H,10H2,1-2H3,(H,25,27).
What are the key properties of 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109237922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).