1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide

C23H23N3O2 — CID 109055004

IUPAC1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)NCc3ccccn3)c2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-15-11-16(2)21(17(3)12-15)26-23(28)19-8-6-7-18(13-19)22(27)25-14-20-9-4-5-10-24-20/h4-13H,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyIONQSUGJBUDJJD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.19
Rot. Bonds5

About 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide

1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109055004) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109055004
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)NCc3ccccn3)c2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-15-11-16(2)21(17(3)12-15)26-23(28)19-8-6-7-18(13-19)22(27)25-14-20-9-4-5-10-24-20/h4-13H,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyIONQSUGJBUDJJD-UHFFFAOYSA-N
XLogP4.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171664
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171754
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055218
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941

Frequently Asked Questions

What is the IUPAC name of 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide (CID 109055004) is 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide is Cc1cc(C)c(NC(=O)c2cccc(C(=O)NCc3ccccn3)c2)c(C)c1.
What is the InChIKey of 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is IONQSUGJBUDJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-11-16(2)21(17(3)12-15)26-23(28)19-8-6-7-18(13-19)22(27)25-14-20-9-4-5-10-24-20/h4-13H,14H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide?
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).