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

C21H17F2N3O3 — CID 109086914

IUPAC2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C21H17F2N3O3/c1-29-16-5-2-13(3-6-16)12-25-20(27)14-8-9-24-19(10-14)21(28)26-18-7-4-15(22)11-17(18)23/h2-11H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyXNHXJTCCNTURDW-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.55
Rot. Bonds6

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

2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086914) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086914
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C21H17F2N3O3/c1-29-16-5-2-13(3-6-16)12-25-20(27)14-8-9-24-19(10-14)21(28)26-18-7-4-15(22)11-17(18)23/h2-11H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyXNHXJTCCNTURDW-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

4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087685
2-N-(4-ethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086903
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086540
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
4-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092315
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088871

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086914) is 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is COc1ccc(CNC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is XNHXJTCCNTURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c1-29-16-5-2-13(3-6-16)12-25-20(27)14-8-9-24-19(10-14)21(28)26-18-7-4-15(22)11-17(18)23/h2-11H,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-(2,4-difluorophenyl)-4-N-[(4-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-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).