N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide

C20H17F2N3O2 — CID 109157129

IUPACN-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O2/c1-27-18-5-3-2-4-13(18)11-23-19-9-6-14(12-24-19)20(26)25-15-7-8-16(21)17(22)10-15/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyBRISHJJWHVXZAS-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.23
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide

N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109157129) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109157129
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O2/c1-27-18-5-3-2-4-13(18)11-23-19-9-6-14(12-24-19)20(26)25-15-7-8-16(21)17(22)10-15/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyBRISHJJWHVXZAS-UHFFFAOYSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
N-(2-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157086
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155687
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide (CID 109157129) is N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide is COc1ccccc1CNc1ccc(C(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is BRISHJJWHVXZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-27-18-5-3-2-4-13(18)11-23-19-9-6-14(12-24-19)20(26)25-15-7-8-16(21)17(22)10-15/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109157129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).