2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide

C12H15N3O — CID 115173451

IUPAC2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC#N)c1cccnc1
InChIInChI=1S/C12H15N3O/c1-12(2,9-15-11(16)5-6-13)10-4-3-7-14-8-10/h3-4,7-8H,5,9H2,1-2H3,(H,15,16)
InChIKeyZVJMOIPWRQVWHP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.39
Rot. Bonds4

About 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide

2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide (PubChem CID 115173451) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
PubChem CID115173451
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC#N)c1cccnc1
InChIInChI=1S/C12H15N3O/c1-12(2,9-15-11(16)5-6-13)10-4-3-7-14-8-10/h3-4,7-8H,5,9H2,1-2H3,(H,15,16)
InChIKeyZVJMOIPWRQVWHP-UHFFFAOYSA-N
XLogP1.39
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-pyridin-3-ylpropyl)-3-oxobutanamide
CID 115176671
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
CID 115168144
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115165229
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173409
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide (CID 115173451) is 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide is CC(C)(CNC(=O)CC#N)c1cccnc1.
What is the InChIKey of 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide?
The InChIKey is ZVJMOIPWRQVWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,9-15-11(16)5-6-13)10-4-3-7-14-8-10/h3-4,7-8H,5,9H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide?
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide is sourced from PubChem (CID 115173451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).