[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone

C16H18N2O — CID 114273237

IUPAC[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(N(C)C)nc2)cc1C
InChIInChI=1S/C16H18N2O/c1-11-5-6-13(9-12(11)2)16(19)14-7-8-15(17-10-14)18(3)4/h5-10H,1-4H3
InChIKeyDSPDKNSKZSKRHD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.00
Rot. Bonds3

About [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone

[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone (PubChem CID 114273237) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone
PubChem CID114273237
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(N(C)C)nc2)cc1C
InChIInChI=1S/C16H18N2O/c1-11-5-6-13(9-12(11)2)16(19)14-7-8-15(17-10-14)18(3)4/h5-10H,1-4H3
InChIKeyDSPDKNSKZSKRHD-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone (CID 114273237) is [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(N(C)C)nc2)cc1C.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone?
The InChIKey is DSPDKNSKZSKRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-6-13(9-12(11)2)16(19)14-7-8-15(17-10-14)18(3)4/h5-10H,1-4H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone?
[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 114273237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).