2-cyano-3-methyl-N-pyridin-4-ylbutanamide

C11H13N3O — CID 55206630

IUPAC2-cyano-3-methyl-N-pyridin-4-ylbutanamide
SMILESCC(C)C(C#N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3O/c1-8(2)10(7-12)11(15)14-9-3-5-13-6-4-9/h3-6,8,10H,1-2H3,(H,13,14,15)
InChIKeyCYOLBZSSWRFGGA-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.82
Rot. Bonds3

About 2-cyano-3-methyl-N-pyridin-4-ylbutanamide

2-cyano-3-methyl-N-pyridin-4-ylbutanamide (PubChem CID 55206630) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-pyridin-4-ylbutanamide
PubChem CID55206630
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-cyano-3-methyl-N-pyridin-4-ylbutanamide
SMILESCC(C)C(C#N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3O/c1-8(2)10(7-12)11(15)14-9-3-5-13-6-4-9/h3-6,8,10H,1-2H3,(H,13,14,15)
InChIKeyCYOLBZSSWRFGGA-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
CID 115188500
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
2-cyano-N-(3-iodo-4-methylphenyl)-3-methylbutanamide
CID 114257384
2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide
CID 115188543
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid
CID 114898162
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide
CID 94817456
2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 114387944
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide
CID 55132641

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-pyridin-4-ylbutanamide?
The IUPAC name of 2-cyano-3-methyl-N-pyridin-4-ylbutanamide (CID 55206630) is 2-cyano-3-methyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for 2-cyano-3-methyl-N-pyridin-4-ylbutanamide is CC(C)C(C#N)C(=O)Nc1ccncc1.
What is the InChIKey of 2-cyano-3-methyl-N-pyridin-4-ylbutanamide?
The InChIKey is CYOLBZSSWRFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(2)10(7-12)11(15)14-9-3-5-13-6-4-9/h3-6,8,10H,1-2H3,(H,13,14,15).
What are the key properties of 2-cyano-3-methyl-N-pyridin-4-ylbutanamide?
2-cyano-3-methyl-N-pyridin-4-ylbutanamide has a molecular weight of 203.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 55206630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).