2,2-dimethyl-3H-pyridine-6-carboxamide

C8H12N2O — CID 175290506

IUPAC2,2-dimethyl-3H-pyridine-6-carboxamide
SMILESCC1(C)CC=CC(C(N)=O)=N1
InChIInChI=1S/C8H12N2O/c1-8(2)5-3-4-6(10-8)7(9)11/h3-4H,5H2,1-2H3,(H2,9,11)
InChIKeyPMWRAZYAIGNXNN-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.65
Rot. Bonds1

About 2,2-dimethyl-3H-pyridine-6-carboxamide

2,2-dimethyl-3H-pyridine-6-carboxamide (PubChem CID 175290506) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,2-dimethyl-3H-pyridine-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3H-pyridine-6-carboxamide
PubChem CID175290506
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,2-dimethyl-3H-pyridine-6-carboxamide
SMILESCC1(C)CC=CC(C(N)=O)=N1
InChIInChI=1S/C8H12N2O/c1-8(2)5-3-4-6(10-8)7(9)11/h3-4H,5H2,1-2H3,(H2,9,11)
InChIKeyPMWRAZYAIGNXNN-UHFFFAOYSA-N
XLogP0.65
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-pyridine-6-carboxamide?
The IUPAC name of 2,2-dimethyl-3H-pyridine-6-carboxamide (CID 175290506) is 2,2-dimethyl-3H-pyridine-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3H-pyridine-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-3H-pyridine-6-carboxamide is CC1(C)CC=CC(C(N)=O)=N1.
What is the InChIKey of 2,2-dimethyl-3H-pyridine-6-carboxamide?
The InChIKey is PMWRAZYAIGNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2)5-3-4-6(10-8)7(9)11/h3-4H,5H2,1-2H3,(H2,9,11).
What are the key properties of 2,2-dimethyl-3H-pyridine-6-carboxamide?
2,2-dimethyl-3H-pyridine-6-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-pyridine-6-carboxamide is sourced from PubChem (CID 175290506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).