4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide

C21H21N3O — CID 113011554

IUPAC4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)21(25)24-19-11-12-20(23-14-19)22-13-18-6-4-3-5-16(18)2/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyNTQHTERRTMERBF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.56
Rot. Bonds5

About 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide

4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide (PubChem CID 113011554) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
PubChem CID113011554
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)21(25)24-19-11-12-20(23-14-19)22-13-18-6-4-3-5-16(18)2/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyNTQHTERRTMERBF-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-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155703
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
2-(4-methylphenoxy)-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011587
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012213
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155687
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide (CID 113011554) is 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCc3ccccc3C)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The InChIKey is NTQHTERRTMERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)21(25)24-19-11-12-20(23-14-19)22-13-18-6-4-3-5-16(18)2/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide?
4-methyl-N-[6-[(2-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-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113011554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).