3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide

C21H19N3O3 — CID 109105048

IUPAC3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H19N3O3/c1-27-19-10-6-5-9-18(19)24-21(26)17-11-16(13-22-14-17)20(25)23-12-15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyPGJBADSKAJWXRU-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.27
Rot. Bonds6

About 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105048) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109105048
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H19N3O3/c1-27-19-10-6-5-9-18(19)24-21(26)17-11-16(13-22-14-17)20(25)23-12-15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyPGJBADSKAJWXRU-UHFFFAOYSA-N
XLogP3.27
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789
5-N-(2-methoxy-5-methylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105236
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
3-N-(2-methoxyphenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108084
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759
5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106949
5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide (CID 109105048) is 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide is COc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is PGJBADSKAJWXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-19-10-6-5-9-18(19)24-21(26)17-11-16(13-22-14-17)20(25)23-12-15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).