2-cyano-2-methyl-N-pyridin-4-ylbutanamide

C11H13N3O — CID 114291006

IUPAC2-cyano-2-methyl-N-pyridin-4-ylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3O/c1-3-11(2,8-12)10(15)14-9-4-6-13-7-5-9/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyPADAEGQGIPQCAY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.96
Rot. Bonds3

About 2-cyano-2-methyl-N-pyridin-4-ylbutanamide

2-cyano-2-methyl-N-pyridin-4-ylbutanamide (PubChem CID 114291006) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-pyridin-4-ylbutanamide
PubChem CID114291006
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-cyano-2-methyl-N-pyridin-4-ylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3O/c1-3-11(2,8-12)10(15)14-9-4-6-13-7-5-9/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyPADAEGQGIPQCAY-UHFFFAOYSA-N
XLogP1.96
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
CID 107790753
2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291024
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
2-carbamothioyl-2-methyl-N-pyridin-4-ylbutanamide
CID 114291848
2-cyano-2-methyl-N-(4-methyl-3-nitrophenyl)butanamide
CID 114291021
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701
2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
CID 114290912
2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 116787078
2-cyano-N-(2,6-difluoro-3-methylphenyl)-2-methylbutanamide
CID 82818028
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
2,2,2-tribromo-N-pyridin-4-ylacetamide
CID 23576873

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-pyridin-4-ylbutanamide?
The IUPAC name of 2-cyano-2-methyl-N-pyridin-4-ylbutanamide (CID 114291006) is 2-cyano-2-methyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for 2-cyano-2-methyl-N-pyridin-4-ylbutanamide is CCC(C)(C#N)C(=O)Nc1ccncc1.
What is the InChIKey of 2-cyano-2-methyl-N-pyridin-4-ylbutanamide?
The InChIKey is PADAEGQGIPQCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-11(2,8-12)10(15)14-9-4-6-13-7-5-9/h4-7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyano-2-methyl-N-pyridin-4-ylbutanamide?
2-cyano-2-methyl-N-pyridin-4-ylbutanamide has a molecular weight of 203.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 114291006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).