3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide

C12H18N2O — CID 17249015

IUPAC3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide
SMILESCc1ccc(NC(=O)CC(C)(C)C)nc1
InChIInChI=1S/C12H18N2O/c1-9-5-6-10(13-8-9)14-11(15)7-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyQCVQCENTFIPYRP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.76
Rot. Bonds2

About 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide

3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide (PubChem CID 17249015) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide
PubChem CID17249015
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide
SMILESCc1ccc(NC(=O)CC(C)(C)C)nc1
InChIInChI=1S/C12H18N2O/c1-9-5-6-10(13-8-9)14-11(15)7-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyQCVQCENTFIPYRP-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide (CID 17249015) is 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide is Cc1ccc(NC(=O)CC(C)(C)C)nc1.
What is the InChIKey of 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide?
The InChIKey is QCVQCENTFIPYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-6-10(13-8-9)14-11(15)7-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide?
3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(5-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 17249015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).