4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

C21H19N3O3 — CID 109047690

IUPAC4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-27-19-6-2-5-18(12-19)24-21(26)17-9-7-16(8-10-17)20(25)23-14-15-4-3-11-22-13-15/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXZUOYLHQYMKQRA-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.27
Rot. Bonds6

About 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047690) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047690
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-27-19-6-2-5-18(12-19)24-21(26)17-9-7-16(8-10-17)20(25)23-14-15-4-3-11-22-13-15/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXZUOYLHQYMKQRA-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

1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105232
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137105
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (CID 109047690) is 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is COc1cccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is XZUOYLHQYMKQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-19-6-2-5-18(12-19)24-21(26)17-9-7-16(8-10-17)20(25)23-14-15-4-3-11-22-13-15/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-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 4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).