N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide

C8H14N2O — CID 13141782

IUPACN-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)N1CC=CCC1
InChIInChI=1S/C8H14N2O/c1-2-9-8(11)10-6-4-3-5-7-10/h3-4H,2,5-7H2,1H3,(H,9,11)
InChIKeyUTCHOQRZUIFGFJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.98
Rot. Bonds1

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

N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 13141782) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID13141782
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)N1CC=CCC1
InChIInChI=1S/C8H14N2O/c1-2-9-8(11)10-6-4-3-5-7-10/h3-4H,2,5-7H2,1H3,(H,9,11)
InChIKeyUTCHOQRZUIFGFJ-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.98
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-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 13141782) is N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide is CCNC(=O)N1CC=CCC1.
What is the InChIKey of N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UTCHOQRZUIFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-9-8(11)10-6-4-3-5-7-10/h3-4H,2,5-7H2,1H3,(H,9,11).
What are the key properties of N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 13141782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).