1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

C16H17ClN2O2 — CID 116581908

IUPAC1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2ccc(N)c(Cl)c2)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)11-4-5-13(18)12(17)6-11/h4-6,8H,7,18H2,1-3H3
InChIKeyFNRFISOTPMQVMD-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 116581908) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID116581908
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2ccc(N)c(Cl)c2)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)11-4-5-13(18)12(17)6-11/h4-6,8H,7,18H2,1-3H3
InChIKeyFNRFISOTPMQVMD-UHFFFAOYSA-N
XLogP3.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 107101566
1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62946334
3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128954
1-(2,5-dibromophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968302
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105090450
1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114905820
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 116581908) is 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(CC(=O)c2ccc(N)c(Cl)c2)c1C.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is FNRFISOTPMQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)11-4-5-13(18)12(17)6-11/h4-6,8H,7,18H2,1-3H3.
What are the key properties of 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 304.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116581908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).