5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide

C22H21N3O2 — CID 109106204

IUPAC5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2cncc(C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-16-6-5-9-20(12-16)25-22(27)19-13-18(14-23-15-19)21(26)24-11-10-17-7-3-2-4-8-17/h2-9,12-15H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyBKUUPVDRGRPWEZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.61
Rot. Bonds6

About 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide

5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109106204) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
PubChem CID109106204
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2cncc(C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-16-6-5-9-20(12-16)25-22(27)19-13-18(14-23-15-19)21(26)24-11-10-17-7-3-2-4-8-17/h2-9,12-15H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyBKUUPVDRGRPWEZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
3-N-(3-methylphenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107576
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide (CID 109106204) is 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide is Cc1cccc(NC(=O)c2cncc(C(=O)NCCc3ccccc3)c2)c1.
What is the InChIKey of 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is BKUUPVDRGRPWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-6-5-9-20(12-16)25-22(27)19-13-18(14-23-15-19)21(26)24-11-10-17-7-3-2-4-8-17/h2-9,12-15H,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).