N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide

C14H18N2O — CID 12925114

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN1CC=CCC1
InChIInChI=1S/C14H18N2O/c17-14(15-16-11-5-2-6-12-16)10-9-13-7-3-1-4-8-13/h1-5,7-8H,6,9-12H2,(H,15,17)
InChIKeyQAIBPEHPIIXYLU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.91
Rot. Bonds4

About N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide

N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide (PubChem CID 12925114) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide
PubChem CID12925114
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN1CC=CCC1
InChIInChI=1S/C14H18N2O/c17-14(15-16-11-5-2-6-12-16)10-9-13-7-3-1-4-8-13/h1-5,7-8H,6,9-12H2,(H,15,17)
InChIKeyQAIBPEHPIIXYLU-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide (CID 12925114) is N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)NN1CC=CCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide?
The InChIKey is QAIBPEHPIIXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(15-16-11-5-2-6-12-16)10-9-13-7-3-1-4-8-13/h1-5,7-8H,6,9-12H2,(H,15,17).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide?
N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyridin-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 12925114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).