N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide

C21H19F2N3O3 — CID 109159919

IUPACN-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(F)c(F)c3)cn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-7-3-13(9-19(18)29-2)11-24-20-8-4-14(12-25-20)21(27)26-15-5-6-16(22)17(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyCLUFBJAKQUNDRP-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.24
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide

N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109159919) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109159919
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(F)c(F)c3)cn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-7-3-13(9-19(18)29-2)11-24-20-8-4-14(12-25-20)21(27)26-15-5-6-16(22)17(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyCLUFBJAKQUNDRP-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109159913
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109159891
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
CID 167923965
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide (CID 109159919) is N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)Nc3ccc(F)c(F)c3)cn2)cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is CLUFBJAKQUNDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-18-7-3-13(9-19(18)29-2)11-24-20-8-4-14(12-25-20)21(27)26-15-5-6-16(22)17(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide?
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109159919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).