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

C7H12N2O — CID 18951970

IUPAC1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide
SMILESCN1CC=CCC1C(N)=O
InChIInChI=1S/C7H12N2O/c1-9-5-3-2-4-6(9)7(8)10/h2-3,6H,4-5H2,1H3,(H2,8,10)
InChIKeyIELISRXZOAXXHW-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.27
Rot. Bonds1

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

1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide (PubChem CID 18951970) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide
PubChem CID18951970
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide
SMILESCN1CC=CCC1C(N)=O
InChIInChI=1S/C7H12N2O/c1-9-5-3-2-4-6(9)7(8)10/h2-3,6H,4-5H2,1H3,(H2,8,10)
InChIKeyIELISRXZOAXXHW-UHFFFAOYSA-N
XLogP-0.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide (CID 18951970) is 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide is CN1CC=CCC1C(N)=O.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide?
The InChIKey is IELISRXZOAXXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-5-3-2-4-6(9)7(8)10/h2-3,6H,4-5H2,1H3,(H2,8,10).
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide?
1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide has a molecular weight of 140.19 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-2-carboxamide is sourced from PubChem (CID 18951970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).