2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

C21H20N4O2 — CID 109087538

IUPAC2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NCc3ccncc3)ccn2)c1
InChIInChI=1S/C21H20N4O2/c1-14-9-15(2)11-18(10-14)25-21(27)19-12-17(5-8-23-19)20(26)24-13-16-3-6-22-7-4-16/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRSTVPTVYVVGTLS-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.28
Rot. Bonds5

About 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087538) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087538
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NCc3ccncc3)ccn2)c1
InChIInChI=1S/C21H20N4O2/c1-14-9-15(2)11-18(10-14)25-21(27)19-12-17(5-8-23-19)20(26)24-13-16-3-6-22-7-4-16/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRSTVPTVYVVGTLS-UHFFFAOYSA-N
XLogP3.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085894
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
4-N-[(4-methylphenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085890
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087538) is 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cc(C(=O)NCc3ccncc3)ccn2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is RSTVPTVYVVGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-9-15(2)11-18(10-14)25-21(27)19-12-17(5-8-23-19)20(26)24-13-16-3-6-22-7-4-16/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).