1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

C22H21N3O2 — CID 109054359

IUPAC1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-7-9-17(10-8-16)14-24-21(26)19-5-2-6-20(12-19)22(27)25-15-18-4-3-11-23-13-18/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyMMJXQJQEBLQNTD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.25
Rot. Bonds6

About 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109054359) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109054359
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-7-9-17(10-8-16)14-24-21(26)19-5-2-6-20(12-19)22(27)25-15-18-4-3-11-23-13-18/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyMMJXQJQEBLQNTD-UHFFFAOYSA-N
XLogP3.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
1-N-(pyridin-1-ium-3-ylmethyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 3619062
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
4-methyl-3-[(4-methylphenyl)sulfanylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390916

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (CID 109054359) is 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is Cc1ccc(CNC(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is MMJXQJQEBLQNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-7-9-17(10-8-16)14-24-21(26)19-5-2-6-20(12-19)22(27)25-15-18-4-3-11-23-13-18/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).