N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

C23H25N3O — CID 109232282

IUPACN-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(Nc3ccccc3C(C)C)c2)c1
InChIInChI=1S/C23H25N3O/c1-16(2)21-9-4-5-10-22(21)26-20-12-19(14-24-15-20)23(27)25-13-18-8-6-7-17(3)11-18/h4-12,14-16,26H,13H2,1-3H3,(H,25,27)
InChIKeyOUFFYNFDCNKQAB-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.19
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109232282) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109232282
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(Nc3ccccc3C(C)C)c2)c1
InChIInChI=1S/C23H25N3O/c1-16(2)21-9-4-5-10-22(21)26-20-12-19(14-24-15-20)23(27)25-13-18-8-6-7-17(3)11-18/h4-12,14-16,26H,13H2,1-3H3,(H,25,27)
InChIKeyOUFFYNFDCNKQAB-UHFFFAOYSA-N
XLogP5.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232306
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319
N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109231717
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (CID 109232282) is N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2cncc(Nc3ccccc3C(C)C)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is OUFFYNFDCNKQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16(2)21-9-4-5-10-22(21)26-20-12-19(14-24-15-20)23(27)25-13-18-8-6-7-17(3)11-18/h4-12,14-16,26H,13H2,1-3H3,(H,25,27).
What are the key properties of N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).