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

C20H18ClN3O — CID 142082926

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
SMILESCc1ccc(CNc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-6-8-15(9-7-14)12-22-18-5-3-2-4-17(18)20(25)24-19-11-10-16(21)13-23-19/h2-11,13,22H,12H2,1H3,(H,23,24,25)
InChIKeyQGXYEHQDXFHFRQ-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.91
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide (PubChem CID 142082926) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
PubChem CID142082926
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
SMILESCc1ccc(CNc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-6-8-15(9-7-14)12-22-18-5-3-2-4-17(18)20(25)24-19-11-10-16(21)13-23-19/h2-11,13,22H,12H2,1H3,(H,23,24,25)
InChIKeyQGXYEHQDXFHFRQ-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

N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide
CID 59089759
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 52867425
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 160614519
2-[[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112815625
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-(5-chloro-2-pyridinyl)-2-[[4-(piperazine-1-carboximidoyl)phenyl]methylamino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)phenyl]methylamino]benzamide
CID 162052447

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide (CID 142082926) is N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide is Cc1ccc(CNc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide?
The InChIKey is QGXYEHQDXFHFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-6-8-15(9-7-14)12-22-18-5-3-2-4-17(18)20(25)24-19-11-10-16(21)13-23-19/h2-11,13,22H,12H2,1H3,(H,23,24,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]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 N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 142082926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).