N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide

C18H18N2O — CID 15075694

IUPACN-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
SMILESO=C(NN1CCC=C(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(16-10-5-2-6-11-16)19-20-13-7-12-17(14-20)15-8-3-1-4-9-15/h1-6,8-12H,7,13-14H2,(H,19,21)
InChIKeyPMJXCLIHLOMMKI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.12
Rot. Bonds3

About N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide

N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide (PubChem CID 15075694) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
PubChem CID15075694
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
SMILESO=C(NN1CCC=C(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(16-10-5-2-6-11-16)19-20-13-7-12-17(14-20)15-8-3-1-4-9-15/h1-6,8-12H,7,13-14H2,(H,19,21)
InChIKeyPMJXCLIHLOMMKI-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The IUPAC name of N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide (CID 15075694) is N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide.
What is the SMILES notation for N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The canonical SMILES for N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide is O=C(NN1CCC=C(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The InChIKey is PMJXCLIHLOMMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(16-10-5-2-6-11-16)19-20-13-7-12-17(14-20)15-8-3-1-4-9-15/h1-6,8-12H,7,13-14H2,(H,19,21).
What are the key properties of N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide has a molecular weight of 278.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide is sourced from PubChem (CID 15075694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).