2,6-dimethyl-1,2-dihydropyridine-3-carboxamide

C8H12N2O — CID 18707401

IUPAC2,6-dimethyl-1,2-dihydropyridine-3-carboxamide
SMILESCC1=CC=C(C(N)=O)C(C)N1
InChIInChI=1S/C8H12N2O/c1-5-3-4-7(8(9)11)6(2)10-5/h3-4,6,10H,1-2H3,(H2,9,11)
InChIKeyMISKZLFHMAJHDA-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.29
Rot. Bonds1

About 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide

2,6-dimethyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 18707401) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-1,2-dihydropyridine-3-carboxamide
PubChem CID18707401
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,6-dimethyl-1,2-dihydropyridine-3-carboxamide
SMILESCC1=CC=C(C(N)=O)C(C)N1
InChIInChI=1S/C8H12N2O/c1-5-3-4-7(8(9)11)6(2)10-5/h3-4,6,10H,1-2H3,(H2,9,11)
InChIKeyMISKZLFHMAJHDA-UHFFFAOYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide (CID 18707401) is 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide is CC1=CC=C(C(N)=O)C(C)N1.
What is the InChIKey of 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is MISKZLFHMAJHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-3-4-7(8(9)11)6(2)10-5/h3-4,6,10H,1-2H3,(H2,9,11).
What are the key properties of 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide?
2,6-dimethyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 18707401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).