N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide

C21H20ClN3O — CID 113029009

IUPACN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H20ClN3O/c1-15-2-6-17(7-3-15)21(26)25-20-11-10-19(14-24-20)23-13-12-16-4-8-18(22)9-5-16/h2-11,14,23H,12-13H2,1H3,(H,24,25,26)
InChIKeyBIRNAURCMBJOFK-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.95
Rot. Bonds6

About N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide

N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide (PubChem CID 113029009) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
PubChem CID113029009
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H20ClN3O/c1-15-2-6-17(7-3-15)21(26)25-20-11-10-19(14-24-20)23-13-12-16-4-8-18(22)9-5-16/h2-11,14,23H,12-13H2,1H3,(H,24,25,26)
InChIKeyBIRNAURCMBJOFK-UHFFFAOYSA-N
XLogP4.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
CID 113030264
5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109173853
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide (CID 113029009) is N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is BIRNAURCMBJOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15-2-6-17(7-3-15)21(26)25-20-11-10-19(14-24-20)23-13-12-16-4-8-18(22)9-5-16/h2-11,14,23H,12-13H2,1H3,(H,24,25,26).
What are the key properties of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 365.86 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113029009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).