N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

C23H25N3O — CID 109232551

IUPACN-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(Nc3c(C)cc(C)cc3C)c2)cc1
InChIInChI=1S/C23H25N3O/c1-15-5-7-19(8-6-15)12-25-23(27)20-11-21(14-24-13-20)26-22-17(3)9-16(2)10-18(22)4/h5-11,13-14,26H,12H2,1-4H3,(H,25,27)
InChIKeyCWZPYKCLBLEGDH-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.99
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (PubChem CID 109232551) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
PubChem CID109232551
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(Nc3c(C)cc(C)cc3C)c2)cc1
InChIInChI=1S/C23H25N3O/c1-15-5-7-19(8-6-15)12-25-23(27)20-11-21(14-24-13-20)26-22-17(3)9-16(2)10-18(22)4/h5-11,13-14,26H,12H2,1-4H3,(H,25,27)
InChIKeyCWZPYKCLBLEGDH-UHFFFAOYSA-N
XLogP4.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109231371
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-(2-chloro-4,6-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232696
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232606
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (CID 109232551) is N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cncc(Nc3c(C)cc(C)cc3C)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The InChIKey is CWZPYKCLBLEGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-5-7-19(8-6-15)12-25-23(27)20-11-21(14-24-13-20)26-22-17(3)9-16(2)10-18(22)4/h5-11,13-14,26H,12H2,1-4H3,(H,25,27).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109232551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).