N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide

C10H18N2O — CID 13141785

IUPACN-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-10(2,3)11-9(13)12-7-5-4-6-8-12/h4-5H,6-8H2,1-3H3,(H,11,13)
InChIKeyOEKCIYSZSCNPTF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.76
Rot. Bonds

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

N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 13141785) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID13141785
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-10(2,3)11-9(13)12-7-5-4-6-8-12/h4-5H,6-8H2,1-3H3,(H,11,13)
InChIKeyOEKCIYSZSCNPTF-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.76
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-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 13141785) is N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)NC(=O)N1CC=CCC1.
What is the InChIKey of N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OEKCIYSZSCNPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)11-9(13)12-7-5-4-6-8-12/h4-5H,6-8H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 13141785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).