4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

C21H21N3O — CID 113011759

IUPAC4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C21H21N3O/c1-15-3-7-17(8-4-15)13-22-20-12-11-19(14-23-20)24-21(25)18-9-5-16(2)6-10-18/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyKFRQJGCFOUFJQJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.56
Rot. Bonds5

About 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (PubChem CID 113011759) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
PubChem CID113011759
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C21H21N3O/c1-15-3-7-17(8-4-15)13-22-20-12-11-19(14-23-20)24-21(25)18-9-5-16(2)6-10-18/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyKFRQJGCFOUFJQJ-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (CID 113011759) is 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is Cc1ccc(CNc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1.
What is the InChIKey of 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The InChIKey is KFRQJGCFOUFJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-3-7-17(8-4-15)13-22-20-12-11-19(14-23-20)24-21(25)18-9-5-16(2)6-10-18/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113011759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).