2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide

C18H21Cl2N3O — CID 42919660

IUPAC2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCc1cc(Cl)c(CC(=O)NCC(c2ccccc2)N(C)C)c(Cl)n1
InChIInChI=1S/C18H21Cl2N3O/c1-12-9-15(19)14(18(20)22-12)10-17(24)21-11-16(23(2)3)13-7-5-4-6-8-13/h4-9,16H,10-11H2,1-3H3,(H,21,24)
InChIKeyYQHUXEQKLAATFG-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.66
Rot. Bonds6

About 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide

2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide (PubChem CID 42919660) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
PubChem CID42919660
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCc1cc(Cl)c(CC(=O)NCC(c2ccccc2)N(C)C)c(Cl)n1
InChIInChI=1S/C18H21Cl2N3O/c1-12-9-15(19)14(18(20)22-12)10-17(24)21-11-16(23(2)3)13-7-5-4-6-8-13/h4-9,16H,10-11H2,1-3H3,(H,21,24)
InChIKeyYQHUXEQKLAATFG-UHFFFAOYSA-N
XLogP3.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 110407171
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
2-(benzhydrylamino)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799826
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide
CID 110301948
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43019628

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide (CID 42919660) is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide is Cc1cc(Cl)c(CC(=O)NCC(c2ccccc2)N(C)C)c(Cl)n1.
What is the InChIKey of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The InChIKey is YQHUXEQKLAATFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-12-9-15(19)14(18(20)22-12)10-17(24)21-11-16(23(2)3)13-7-5-4-6-8-13/h4-9,16H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide has a molecular weight of 366.29 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide is sourced from PubChem (CID 42919660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).