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

C7H12N2O — CID 13141781

IUPACN-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=CCC1
InChIInChI=1S/C7H12N2O/c1-8-7(10)9-5-3-2-4-6-9/h2-3H,4-6H2,1H3,(H,8,10)
InChIKeyAXEZVMIBHOCUTE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.59
Rot. Bonds

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

N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 13141781) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID13141781
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=CCC1
InChIInChI=1S/C7H12N2O/c1-8-7(10)9-5-3-2-4-6-9/h2-3H,4-6H2,1H3,(H,8,10)
InChIKeyAXEZVMIBHOCUTE-UHFFFAOYSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.59
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-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 13141781) is N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CNC(=O)N1CC=CCC1.
What is the InChIKey of N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is AXEZVMIBHOCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-7(10)9-5-3-2-4-6-9/h2-3H,4-6H2,1H3,(H,8,10).
What are the key properties of N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 140.19 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 13141781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).