3-methyl-N-(2-pyridin-2-ylpropyl)benzamide

C16H18N2O — CID 91333168

IUPAC3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCC(C)c2ccccn2)c1
InChIInChI=1S/C16H18N2O/c1-12-6-5-7-14(10-12)16(19)18-11-13(2)15-8-3-4-9-17-15/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyBDSBRHYCMRZLRY-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.92
Rot. Bonds4

About 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide

3-methyl-N-(2-pyridin-2-ylpropyl)benzamide (PubChem CID 91333168) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
PubChem CID91333168
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCC(C)c2ccccn2)c1
InChIInChI=1S/C16H18N2O/c1-12-6-5-7-14(10-12)16(19)18-11-13(2)15-8-3-4-9-17-15/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyBDSBRHYCMRZLRY-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide
CID 20820016
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
CID 95981391
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
3-methyl-N-phenacylbenzamide
CID 3417494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide?
The IUPAC name of 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide (CID 91333168) is 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide is Cc1cccc(C(=O)NCC(C)c2ccccn2)c1.
What is the InChIKey of 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide?
The InChIKey is BDSBRHYCMRZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-6-5-7-14(10-12)16(19)18-11-13(2)15-8-3-4-9-17-15/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide?
3-methyl-N-(2-pyridin-2-ylpropyl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-2-ylpropyl)benzamide is sourced from PubChem (CID 91333168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).