2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide

C23H24N4O2 — CID 109085525

IUPAC2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C23H24N4O2/c1-17-5-3-4-6-20(17)16-26-22(28)19-9-13-25-21(15-19)23(29)27(2)14-10-18-7-11-24-12-8-18/h3-9,11-13,15H,10,14,16H2,1-2H3,(H,26,28)
InChIKeyUIGNEJZPGYILRJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.03
Rot. Bonds7

About 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide

2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085525) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
PubChem CID109085525
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C23H24N4O2/c1-17-5-3-4-6-20(17)16-26-22(28)19-9-13-25-21(15-19)23(29)27(2)14-10-18-7-11-24-12-8-18/h3-9,11-13,15H,10,14,16H2,1-2H3,(H,26,28)
InChIKeyUIGNEJZPGYILRJ-UHFFFAOYSA-N
XLogP3.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109085537
4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087215
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085775
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide (CID 109085525) is 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide is Cc1ccccc1CNC(=O)c1ccnc(C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is UIGNEJZPGYILRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-5-3-4-6-20(17)16-26-22(28)19-9-13-25-21(15-19)23(29)27(2)14-10-18-7-11-24-12-8-18/h3-9,11-13,15H,10,14,16H2,1-2H3,(H,26,28).
What are the key properties of 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).