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

C21H18ClN3O3 — CID 109086818

IUPAC2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C21H18ClN3O3/c1-28-19-8-3-2-5-15(19)13-24-20(26)14-9-10-23-18(11-14)21(27)25-17-7-4-6-16(22)12-17/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPHFWIPGIAFNFRA-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.93
Rot. Bonds6

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

2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086818) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086818
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C21H18ClN3O3/c1-28-19-8-3-2-5-15(19)13-24-20(26)14-9-10-23-18(11-14)21(27)25-17-7-4-6-16(22)12-17/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPHFWIPGIAFNFRA-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086829
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085894
2-N-(3-chlorophenyl)-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086529
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
4-N-[(2-methoxyphenyl)methyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086804

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086818) is 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is COc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is PHFWIPGIAFNFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-28-19-8-3-2-5-15(19)13-24-20(26)14-9-10-23-18(11-14)21(27)25-17-7-4-6-16(22)12-17/h2-12H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).