6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide

C7H12N2O — CID 90828488

IUPAC6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide
SMILESCC1=NCC(C(N)=O)CC1
InChIInChI=1S/C7H12N2O/c1-5-2-3-6(4-9-5)7(8)10/h6H,2-4H2,1H3,(H2,8,10)
InChIKeyWIPPQNKPTBQKFB-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.34
Rot. Bonds1

About 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide

6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide (PubChem CID 90828488) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide
PubChem CID90828488
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide
SMILESCC1=NCC(C(N)=O)CC1
InChIInChI=1S/C7H12N2O/c1-5-2-3-6(4-9-5)7(8)10/h6H,2-4H2,1H3,(H2,8,10)
InChIKeyWIPPQNKPTBQKFB-UHFFFAOYSA-N
XLogP0.34
TPSA55.45 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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide?
The IUPAC name of 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide (CID 90828488) is 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide is CC1=NCC(C(N)=O)CC1.
What is the InChIKey of 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide?
The InChIKey is WIPPQNKPTBQKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-2-3-6(4-9-5)7(8)10/h6H,2-4H2,1H3,(H2,8,10).
What are the key properties of 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide?
6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide has a molecular weight of 140.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide is sourced from PubChem (CID 90828488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).