3-methyl-3-pyridin-2-ylbutanamide

C10H14N2O — CID 67998308

IUPAC3-methyl-3-pyridin-2-ylbutanamide
SMILESCC(C)(CC(N)=O)c1ccccn1
InChIInChI=1S/C10H14N2O/c1-10(2,7-9(11)13)8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H2,11,13)
InChIKeyCKOOJQXLWGTPKZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.23
Rot. Bonds3

About 3-methyl-3-pyridin-2-ylbutanamide

3-methyl-3-pyridin-2-ylbutanamide (PubChem CID 67998308) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-methyl-3-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name3-methyl-3-pyridin-2-ylbutanamide
PubChem CID67998308
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-methyl-3-pyridin-2-ylbutanamide
SMILESCC(C)(CC(N)=O)c1ccccn1
InChIInChI=1S/C10H14N2O/c1-10(2,7-9(11)13)8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H2,11,13)
InChIKeyCKOOJQXLWGTPKZ-UHFFFAOYSA-N
XLogP1.23
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
methyl 4-methyl-4-pyridin-2-ylpentanoate
CID 5323750
(1-fluoro-1-pyridin-2-ylethyl) carbamate
CID 66697846
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240
pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 158875352

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyridin-2-ylbutanamide?
The IUPAC name of 3-methyl-3-pyridin-2-ylbutanamide (CID 67998308) is 3-methyl-3-pyridin-2-ylbutanamide.
What is the SMILES notation for 3-methyl-3-pyridin-2-ylbutanamide?
The canonical SMILES for 3-methyl-3-pyridin-2-ylbutanamide is CC(C)(CC(N)=O)c1ccccn1.
What is the InChIKey of 3-methyl-3-pyridin-2-ylbutanamide?
The InChIKey is CKOOJQXLWGTPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,7-9(11)13)8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H2,11,13).
What are the key properties of 3-methyl-3-pyridin-2-ylbutanamide?
3-methyl-3-pyridin-2-ylbutanamide has a molecular weight of 178.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyridin-2-ylbutanamide is sourced from PubChem (CID 67998308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).