5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide

C23H24N4O2 — CID 109105155

IUPAC5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H24N4O2/c1-16-6-4-5-7-17(16)15-25-22(28)18-12-19(14-24-13-18)23(29)26-20-8-10-21(11-9-20)27(2)3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWOGFECPUOWDLGC-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.64
Rot. Bonds6

About 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide

5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105155) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105155
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H24N4O2/c1-16-6-4-5-7-17(16)15-25-22(28)18-12-19(14-24-13-18)23(29)26-20-8-10-21(11-9-20)27(2)3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWOGFECPUOWDLGC-UHFFFAOYSA-N
XLogP3.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105168
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234351
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105087
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105155) is 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide is Cc1ccccc1CNC(=O)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is WOGFECPUOWDLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-6-4-5-7-17(16)15-25-22(28)18-12-19(14-24-13-18)23(29)26-20-8-10-21(11-9-20)27(2)3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).