3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide

C20H18ClN3O — CID 113026717

IUPAC3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-5-7-15(8-6-14)12-22-18-9-10-19(23-13-18)24-20(25)16-3-2-4-17(21)11-16/h2-11,13,22H,12H2,1H3,(H,23,24,25)
InChIKeyVKMFRQPHLACHMD-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.91
Rot. Bonds5

About 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide

3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide (PubChem CID 113026717) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
PubChem CID113026717
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-5-7-15(8-6-14)12-22-18-9-10-19(23-13-18)24-20(25)16-3-2-4-17(21)11-16/h2-11,13,22H,12H2,1H3,(H,23,24,25)
InChIKeyVKMFRQPHLACHMD-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide (CID 113026717) is 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide is Cc1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc1.
What is the InChIKey of 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide?
The InChIKey is VKMFRQPHLACHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-5-7-15(8-6-14)12-22-18-9-10-19(23-13-18)24-20(25)16-3-2-4-17(21)11-16/h2-11,13,22H,12H2,1H3,(H,23,24,25).
What are the key properties of 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide?
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide has a molecular weight of 351.84 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113026717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).