3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

C24H25N3O2 — CID 109055260

IUPAC3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-27(17-13-20-10-14-25-15-11-20)24(29)22-9-5-8-21(18-22)23(28)26-16-12-19-6-3-2-4-7-19/h2-11,14-15,18H,12-13,16-17H2,1H3,(H,26,28)
InChIKeyUQWVHPQQPOOIRD-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.37
Rot. Bonds8

About 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 109055260) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
PubChem CID109055260
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-27(17-13-20-10-14-25-15-11-20)24(29)22-9-5-8-21(18-22)23(28)26-16-12-19-6-3-2-4-7-19/h2-11,14-15,18H,12-13,16-17H2,1H3,(H,26,28)
InChIKeyUQWVHPQQPOOIRD-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide with MolForge

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Related Compounds

1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (CID 109055260) is 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is CN(CCc1ccncc1)C(=O)c1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is UQWVHPQQPOOIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27(17-13-20-10-14-25-15-11-20)24(29)22-9-5-8-21(18-22)23(28)26-16-12-19-6-3-2-4-7-19/h2-11,14-15,18H,12-13,16-17H2,1H3,(H,26,28).
What are the key properties of 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).