2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

C23H23N3O2 — CID 109085771

IUPAC2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cc(C(=O)NCCc3ccccc3)ccn2)c1
InChIInChI=1S/C23H23N3O2/c1-17-6-5-9-19(14-17)16-26-23(28)21-15-20(11-13-24-21)22(27)25-12-10-18-7-3-2-4-8-18/h2-9,11,13-15H,10,12,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyMLFUOBHRMREIIB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.29
Rot. Bonds7

About 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085771) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109085771
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cc(C(=O)NCCc3ccccc3)ccn2)c1
InChIInChI=1S/C23H23N3O2/c1-17-6-5-9-19(14-17)16-26-23(28)21-15-20(11-13-24-21)22(27)25-12-10-18-7-3-2-4-8-18/h2-9,11,13-15H,10,12,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyMLFUOBHRMREIIB-UHFFFAOYSA-N
XLogP3.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087759
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
2-N-(2-ethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085719
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085775

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (CID 109085771) is 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is Cc1cccc(CNC(=O)c2cc(C(=O)NCCc3ccccc3)ccn2)c1.
What is the InChIKey of 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is MLFUOBHRMREIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17-6-5-9-19(14-17)16-26-23(28)21-15-20(11-13-24-21)22(27)25-12-10-18-7-3-2-4-8-18/h2-9,11,13-15H,10,12,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).