3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

C21H20N4O2 — CID 109105096

IUPAC3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H20N4O2/c1-15-6-2-3-7-16(15)13-24-20(26)17-10-18(12-22-11-17)21(27)25-14-19-8-4-5-9-23-19/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyFAMOZYACGQICSF-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.65
Rot. Bonds6

About 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105096) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109105096
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H20N4O2/c1-15-6-2-3-7-16(15)13-24-20(26)17-10-18(12-22-11-17)21(27)25-14-19-8-4-5-9-23-19/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyFAMOZYACGQICSF-UHFFFAOYSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105950
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105087
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105168

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109105096) is 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide is Cc1ccccc1CNC(=O)c1cncc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is FAMOZYACGQICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-6-2-3-7-16(15)13-24-20(26)17-10-18(12-22-11-17)21(27)25-14-19-8-4-5-9-23-19/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).