3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

C23H23N3O2 — CID 109055053

IUPAC3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccccn2)c1)c1cccc(C)c1
InChIInChI=1S/C23H23N3O2/c1-3-26(21-12-6-8-17(2)14-21)23(28)19-10-7-9-18(15-19)22(27)25-16-20-11-4-5-13-24-20/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyMCRHXPARGIAMEA-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.99
Rot. Bonds6

About 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109055053) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109055053
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccccn2)c1)c1cccc(C)c1
InChIInChI=1S/C23H23N3O2/c1-3-26(21-12-6-8-17(2)14-21)23(28)19-10-7-9-18(15-19)22(27)25-16-20-11-4-5-13-24-20/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyMCRHXPARGIAMEA-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054073
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023305
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109057447
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087593
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109055053) is 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)NCc2ccccn2)c1)c1cccc(C)c1.
What is the InChIKey of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is MCRHXPARGIAMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-26(21-12-6-8-17(2)14-21)23(28)19-10-7-9-18(15-19)22(27)25-16-20-11-4-5-13-24-20/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).