N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide

C16H22N2O — CID 173312697

IUPACN-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide
SMILESCC(C)CN1C=C(NC(=O)c2ccccc2)CCC1
InChIInChI=1S/C16H22N2O/c1-13(2)11-18-10-6-9-15(12-18)17-16(19)14-7-4-3-5-8-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,17,19)
InChIKeyKBUULFWXFHYKHO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.01
Rot. Bonds4

About N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide

N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide (PubChem CID 173312697) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide
PubChem CID173312697
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide
SMILESCC(C)CN1C=C(NC(=O)c2ccccc2)CCC1
InChIInChI=1S/C16H22N2O/c1-13(2)11-18-10-6-9-15(12-18)17-16(19)14-7-4-3-5-8-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,17,19)
InChIKeyKBUULFWXFHYKHO-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66720488
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CID 7656757
N-[2,6-di(propan-2-yl)phenyl]benzamide
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N-[6-(2-methylpropyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 129116068
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
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CID 5193391
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
CID 134953051
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 60715577
N-(5-oxo-2,3-dihydro-1H-indolizin-6-yl)benzamide
CID 34179124
2-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridine-5-carbonyl]-3,3-diphenylprop-2-enenitrile
CID 122496607

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide?
The IUPAC name of N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide (CID 173312697) is N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide.
What is the SMILES notation for N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide?
The canonical SMILES for N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide is CC(C)CN1C=C(NC(=O)c2ccccc2)CCC1.
What is the InChIKey of N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide?
The InChIKey is KBUULFWXFHYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)11-18-10-6-9-15(12-18)17-16(19)14-7-4-3-5-8-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide?
N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide has a molecular weight of 258.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)-3,4-dihydro-2H-pyridin-5-yl]benzamide is sourced from PubChem (CID 173312697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).