ethane;3-methyl-N-pyridin-3-ylbenzamide

C15H18N2O — CID 145409327

IUPACethane;3-methyl-N-pyridin-3-ylbenzamide
SMILESCC.Cc1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H12N2O.C2H6/c1-10-4-2-5-11(8-10)13(16)15-12-6-3-7-14-9-12;1-2/h2-9H,1H3,(H,15,16);1-2H3
InChIKeyJKPXMRXHGJGGRB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.67
Rot. Bonds2

About ethane;3-methyl-N-pyridin-3-ylbenzamide

ethane;3-methyl-N-pyridin-3-ylbenzamide (PubChem CID 145409327) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is ethane;3-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Nameethane;3-methyl-N-pyridin-3-ylbenzamide
PubChem CID145409327
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nameethane;3-methyl-N-pyridin-3-ylbenzamide
SMILESCC.Cc1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H12N2O.C2H6/c1-10-4-2-5-11(8-10)13(16)15-12-6-3-7-14-9-12;1-2/h2-9H,1H3,(H,15,16);1-2H3
InChIKeyJKPXMRXHGJGGRB-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
CID 50914021
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-(5-bromo-3-pyridinyl)-3-methylbenzamide
CID 110869014
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
CID 26591878

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of ethane;3-methyl-N-pyridin-3-ylbenzamide (CID 145409327) is ethane;3-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for ethane;3-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for ethane;3-methyl-N-pyridin-3-ylbenzamide is CC.Cc1cccc(C(=O)Nc2cccnc2)c1.
What is the InChIKey of ethane;3-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is JKPXMRXHGJGGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C2H6/c1-10-4-2-5-11(8-10)13(16)15-12-6-3-7-14-9-12;1-2/h2-9H,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;3-methyl-N-pyridin-3-ylbenzamide?
ethane;3-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 145409327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).