2-methyl-N-(1-pyridin-4-ylpropyl)benzamide

C16H18N2O — CID 122142222

IUPAC2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccccc1C)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-3-15(13-8-10-17-11-9-13)18-16(19)14-7-5-4-6-12(14)2/h4-11,15H,3H2,1-2H3,(H,18,19)
InChIKeyFJSXNAWIKKHMQA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide

2-methyl-N-(1-pyridin-4-ylpropyl)benzamide (PubChem CID 122142222) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
PubChem CID122142222
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccccc1C)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-3-15(13-8-10-17-11-9-13)18-16(19)14-7-5-4-6-12(14)2/h4-11,15H,3H2,1-2H3,(H,18,19)
InChIKeyFJSXNAWIKKHMQA-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
CID 76971075
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide
CID 124628464
2-methyl-N-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]benzamide
CID 95763013
2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide
CID 107028146
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
CID 99931443
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186
N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide?
The IUPAC name of 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide (CID 122142222) is 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide?
The canonical SMILES for 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide is CCC(NC(=O)c1ccccc1C)c1ccncc1.
What is the InChIKey of 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide?
The InChIKey is FJSXNAWIKKHMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-15(13-8-10-17-11-9-13)18-16(19)14-7-5-4-6-12(14)2/h4-11,15H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide?
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyridin-4-ylpropyl)benzamide is sourced from PubChem (CID 122142222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).