(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide

C12H15N3O — CID 97253743

IUPAC(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
SMILESCC(C)(C)NC(=O)[C@@H](C#N)c1ccccn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)15-11(16)9(8-13)10-6-4-5-7-14-10/h4-7,9H,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyNFABDUPJJOJMNH-VIFPVBQESA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds2

About (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide

(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide (PubChem CID 97253743) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
PubChem CID97253743
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
SMILESCC(C)(C)NC(=O)[C@@H](C#N)c1ccccn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)15-11(16)9(8-13)10-6-4-5-7-14-10/h4-7,9H,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyNFABDUPJJOJMNH-VIFPVBQESA-N
XLogP1.60
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379
(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 97253741
(2S)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 97253742
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141
3-(2,2-dimethylcyclopropyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 103839482
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid
CID 112517228
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908797
S-[(3S)-3-cyano-2-oxo-3-pyridin-2-ylpropyl] ethanethioate
CID 41038214
3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 47179848
3-(2,3-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 80521115
methyl 2-[[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]amino]-3-methylbutanoate
CID 75088698

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide?
The IUPAC name of (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide (CID 97253743) is (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide?
The canonical SMILES for (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide is CC(C)(C)NC(=O)[C@@H](C#N)c1ccccn1.
What is the InChIKey of (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide?
The InChIKey is NFABDUPJJOJMNH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)15-11(16)9(8-13)10-6-4-5-7-14-10/h4-7,9H,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide?
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide is sourced from PubChem (CID 97253743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).