4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide

C7H12N2O — CID 19771285

IUPAC4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide
SMILESCC1=CCNCC1C(N)=O
InChIInChI=1S/C7H12N2O/c1-5-2-3-9-4-6(5)7(8)10/h2,6,9H,3-4H2,1H3,(H2,8,10)
InChIKeyQVDAJIMTMKDFCE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.36
Rot. Bonds1

About 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide

4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide (PubChem CID 19771285) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide
PubChem CID19771285
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide
SMILESCC1=CCNCC1C(N)=O
InChIInChI=1S/C7H12N2O/c1-5-2-3-9-4-6(5)7(8)10/h2,6,9H,3-4H2,1H3,(H2,8,10)
InChIKeyQVDAJIMTMKDFCE-UHFFFAOYSA-N
XLogP-0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide?
The IUPAC name of 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide (CID 19771285) is 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide is CC1=CCNCC1C(N)=O.
What is the InChIKey of 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide?
The InChIKey is QVDAJIMTMKDFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-2-3-9-4-6(5)7(8)10/h2,6,9H,3-4H2,1H3,(H2,8,10).
What are the key properties of 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide?
4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide has a molecular weight of 140.19 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide is sourced from PubChem (CID 19771285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).