N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide

C16H16N2O — CID 796892

IUPACN-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CC=CCC1
InChIInChI=1S/C16H16N2O/c19-16(18-11-4-1-5-12-18)17-15-10-6-8-13-7-2-3-9-14(13)15/h1-4,6-10H,5,11-12H2,(H,17,19)
InChIKeyDNVJXIFJZBUYNV-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.63
Rot. Bonds1

About N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide

N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 796892) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID796892
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CC=CCC1
InChIInChI=1S/C16H16N2O/c19-16(18-11-4-1-5-12-18)17-15-10-6-8-13-7-2-3-9-14(13)15/h1-4,6-10H,5,11-12H2,(H,17,19)
InChIKeyDNVJXIFJZBUYNV-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 796892) is N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CC=CCC1.
What is the InChIKey of N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is DNVJXIFJZBUYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(18-11-4-1-5-12-18)17-15-10-6-8-13-7-2-3-9-14(13)15/h1-4,6-10H,5,11-12H2,(H,17,19).
What are the key properties of N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 796892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).