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

C23H24N4O2 — CID 109085775

IUPAC4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cc(C(=O)N(C)CCc3ccncc3)ccn2)c1
InChIInChI=1S/C23H24N4O2/c1-17-4-3-5-19(14-17)16-26-22(28)21-15-20(8-12-25-21)23(29)27(2)13-9-18-6-10-24-11-7-18/h3-8,10-12,14-15H,9,13,16H2,1-2H3,(H,26,28)
InChIKeyCVEZIYVPENSHPC-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.03
Rot. Bonds7

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

4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085775) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
PubChem CID109085775
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cc(C(=O)N(C)CCc3ccncc3)ccn2)c1
InChIInChI=1S/C23H24N4O2/c1-17-4-3-5-19(14-17)16-26-22(28)21-15-20(8-12-25-21)23(29)27(2)13-9-18-6-10-24-11-7-18/h3-8,10-12,14-15H,9,13,16H2,1-2H3,(H,26,28)
InChIKeyCVEZIYVPENSHPC-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

4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087215
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide (CID 109085775) is 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide is Cc1cccc(CNC(=O)c2cc(C(=O)N(C)CCc3ccncc3)ccn2)c1.
What is the InChIKey of 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is CVEZIYVPENSHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-4-3-5-19(14-17)16-26-22(28)21-15-20(8-12-25-21)23(29)27(2)13-9-18-6-10-24-11-7-18/h3-8,10-12,14-15H,9,13,16H2,1-2H3,(H,26,28).
What are the key properties of 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide?
4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-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 4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).