N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide

C20H32N2O — CID 50977214

IUPACN-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1=CCCN(C2C=CCCC2)C1
InChIInChI=1S/C20H32N2O/c23-20(13-12-17-7-4-5-8-17)21-15-18-9-6-14-22(16-18)19-10-2-1-3-11-19/h2,9-10,17,19H,1,3-8,11-16H2,(H,21,23)
InChIKeyXWZVPHCHLNPISD-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.81
Rot. Bonds6

About N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide

N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide (PubChem CID 50977214) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide
PubChem CID50977214
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1=CCCN(C2C=CCCC2)C1
InChIInChI=1S/C20H32N2O/c23-20(13-12-17-7-4-5-8-17)21-15-18-9-6-14-22(16-18)19-10-2-1-3-11-19/h2,9-10,17,19H,1,3-8,11-16H2,(H,21,23)
InChIKeyXWZVPHCHLNPISD-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.81
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-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide (CID 50977214) is N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NCC1=CCCN(C2C=CCCC2)C1.
What is the InChIKey of N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide?
The InChIKey is XWZVPHCHLNPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c23-20(13-12-17-7-4-5-8-17)21-15-18-9-6-14-22(16-18)19-10-2-1-3-11-19/h2,9-10,17,19H,1,3-8,11-16H2,(H,21,23).
What are the key properties of N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide?
N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide has a molecular weight of 316.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 50977214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).