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

C13H12N2O — CID 116917352

IUPAC[3-(methylamino)phenyl]-pyridin-3-ylmethanone
SMILESCNc1cccc(C(=O)c2cccnc2)c1
InChIInChI=1S/C13H12N2O/c1-14-12-6-2-4-10(8-12)13(16)11-5-3-7-15-9-11/h2-9,14H,1H3
InChIKeyIMXWQXLINOAGAV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.35
Rot. Bonds3

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

[3-(methylamino)phenyl]-pyridin-3-ylmethanone (PubChem CID 116917352) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is [3-(methylamino)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(methylamino)phenyl]-pyridin-3-ylmethanone
PubChem CID116917352
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name[3-(methylamino)phenyl]-pyridin-3-ylmethanone
SMILESCNc1cccc(C(=O)c2cccnc2)c1
InChIInChI=1S/C13H12N2O/c1-14-12-6-2-4-10(8-12)13(16)11-5-3-7-15-9-11/h2-9,14H,1H3
InChIKeyIMXWQXLINOAGAV-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
benzene-1,3-dicarboxylic acid;N-methylpyridin-3-amine;hydrochloride
CID 174581600
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917283
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
3-(methylamino)benzamide
CID 18727714
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(methylamino)phenyl]-pyridin-3-ylmethanone (CID 116917352) is [3-(methylamino)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(methylamino)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(methylamino)phenyl]-pyridin-3-ylmethanone is CNc1cccc(C(=O)c2cccnc2)c1.
What is the InChIKey of [3-(methylamino)phenyl]-pyridin-3-ylmethanone?
The InChIKey is IMXWQXLINOAGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-14-12-6-2-4-10(8-12)13(16)11-5-3-7-15-9-11/h2-9,14H,1H3.
What are the key properties of [3-(methylamino)phenyl]-pyridin-3-ylmethanone?
[3-(methylamino)phenyl]-pyridin-3-ylmethanone has a molecular weight of 212.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 116917352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).