[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone

C14H14N2O — CID 105081243

IUPAC[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
SMILESCN(C)c1cccc(C(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O/c1-16(2)13-7-3-5-11(9-13)14(17)12-6-4-8-15-10-12/h3-10H,1-2H3
InChIKeyWJFHKTPOWBNPEM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.38
Rot. Bonds3

About [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone

[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone (PubChem CID 105081243) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
PubChem CID105081243
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
SMILESCN(C)c1cccc(C(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O/c1-16(2)13-7-3-5-11(9-13)14(17)12-6-4-8-15-10-12/h3-10H,1-2H3
InChIKeyWJFHKTPOWBNPEM-UHFFFAOYSA-N
XLogP2.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[3-(dimethylamino)phenyl]methanone
CID 14534104
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone (CID 105081243) is [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone is CN(C)c1cccc(C(=O)c2cccnc2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone?
The InChIKey is WJFHKTPOWBNPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16(2)13-7-3-5-11(9-13)14(17)12-6-4-8-15-10-12/h3-10H,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone?
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone has a molecular weight of 226.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 105081243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).