N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide

C22H22ClN3O — CID 113031036

IUPACN-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16-5-7-18(8-6-16)14-22(27)26-21-10-9-20(15-25-21)24-12-11-17-3-2-4-19(23)13-17/h2-10,13,15,24H,11-12,14H2,1H3,(H,25,26,27)
InChIKeyQELPVVQSXFRDPL-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.88
Rot. Bonds7

About N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide

N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide (PubChem CID 113031036) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
PubChem CID113031036
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16-5-7-18(8-6-16)14-22(27)26-21-10-9-20(15-25-21)24-12-11-17-3-2-4-19(23)13-17/h2-10,13,15,24H,11-12,14H2,1H3,(H,25,26,27)
InChIKeyQELPVVQSXFRDPL-UHFFFAOYSA-N
XLogP4.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113031026
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
N-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113015813
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013483

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide (CID 113031036) is N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(NCCc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide?
The InChIKey is QELPVVQSXFRDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16-5-7-18(8-6-16)14-22(27)26-21-10-9-20(15-25-21)24-12-11-17-3-2-4-19(23)13-17/h2-10,13,15,24H,11-12,14H2,1H3,(H,25,26,27).
What are the key properties of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide?
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide has a molecular weight of 379.89 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113031036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).