1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide

C18H20N2O — CID 101060850

IUPAC1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide
SMILESC[C@H](c1cccc2ccccc12)N1C=C(C(N)=O)CCC1
InChIInChI=1S/C18H20N2O/c1-13(20-11-5-8-15(12-20)18(19)21)16-10-4-7-14-6-2-3-9-17(14)16/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,19,21)/t13-/m1/s1
InChIKeyFVVTZWHQFOBMDG-CYBMUJFWSA-N
MW280.37 g/mol
LogP3.37
Rot. Bonds3

About 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide

1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide (PubChem CID 101060850) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide
PubChem CID101060850
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide
SMILESC[C@H](c1cccc2ccccc12)N1C=C(C(N)=O)CCC1
InChIInChI=1S/C18H20N2O/c1-13(20-11-5-8-15(12-20)18(19)21)16-10-4-7-14-6-2-3-9-17(14)16/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,19,21)/t13-/m1/s1
InChIKeyFVVTZWHQFOBMDG-CYBMUJFWSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide?
The IUPAC name of 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide (CID 101060850) is 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide is C[C@H](c1cccc2ccccc12)N1C=C(C(N)=O)CCC1.
What is the InChIKey of 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide?
The InChIKey is FVVTZWHQFOBMDG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(20-11-5-8-15(12-20)18(19)21)16-10-4-7-14-6-2-3-9-17(14)16/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide?
1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 101060850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).