N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide

C20H18ClN3O — CID 113012276

IUPACN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O/c1-14-4-2-3-5-18(14)20(25)24-17-10-11-19(23-13-17)22-12-15-6-8-16(21)9-7-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyOGXQTODKAUDFJU-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.91
Rot. Bonds5

About N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide (PubChem CID 113012276) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
PubChem CID113012276
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O/c1-14-4-2-3-5-18(14)20(25)24-17-10-11-19(23-13-17)22-12-15-6-8-16(21)9-7-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyOGXQTODKAUDFJU-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

2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
CID 82022480
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190099

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide (CID 113012276) is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide?
The InChIKey is OGXQTODKAUDFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-4-2-3-5-18(14)20(25)24-17-10-11-19(23-13-17)22-12-15-6-8-16(21)9-7-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide?
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide 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-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 113012276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).