2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide

C21H17F2N3O3 — CID 109086829

IUPAC2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H17F2N3O3/c1-29-19-5-3-2-4-14(19)12-25-20(27)13-8-9-24-18(10-13)21(28)26-15-6-7-16(22)17(23)11-15/h2-11H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyGJMPTYBNNQUADK-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.55
Rot. Bonds6

About 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide

2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086829) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086829
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H17F2N3O3/c1-29-19-5-3-2-4-14(19)12-25-20(27)13-8-9-24-18(10-13)21(28)26-15-6-7-16(22)17(23)11-15/h2-11H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyGJMPTYBNNQUADK-UHFFFAOYSA-N
XLogP3.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
4-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093066
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
N-(4-fluorophenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212097
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092969
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
4-N-[(2-methoxyphenyl)methyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086804
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086829) is 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is COc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is GJMPTYBNNQUADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c1-29-19-5-3-2-4-14(19)12-25-20(27)13-8-9-24-18(10-13)21(28)26-15-6-7-16(22)17(23)11-15/h2-11H,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 397.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).