(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide

C11H11N3O — CID 97253741

IUPAC(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
SMILESC=CCNC(=O)[C@@H](C#N)c1ccccn1
InChIInChI=1S/C11H11N3O/c1-2-6-14-11(15)9(8-12)10-5-3-4-7-13-10/h2-5,7,9H,1,6H2,(H,14,15)/t9-/m0/s1
InChIKeyFZMULNDTDPGIRV-VIFPVBQESA-N
MW201.23 g/mol
LogP0.99
Rot. Bonds4

About (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide

(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide (PubChem CID 97253741) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
PubChem CID97253741
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
SMILESC=CCNC(=O)[C@@H](C#N)c1ccccn1
InChIInChI=1S/C11H11N3O/c1-2-6-14-11(15)9(8-12)10-5-3-4-7-13-10/h2-5,7,9H,1,6H2,(H,14,15)/t9-/m0/s1
InChIKeyFZMULNDTDPGIRV-VIFPVBQESA-N
XLogP0.99
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 97253742
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 78980119
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141
N-prop-2-enyl-1-pyridin-2-ylprop-2-en-1-amine
CID 68906017
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]-N-prop-2-enylacetamide
CID 4295438
S-[(3S)-3-cyano-2-oxo-3-pyridin-2-ylpropyl] ethanethioate
CID 41038214
3-(2,3-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 80521115
4-[(E)-4-cyano-3-oxo-4-pyridin-2-ylbut-1-enyl]benzonitrile
CID 51086334
(2S,4S)-4-(2,6-dichlorophenyl)-3-oxo-2-pyridin-2-ylpentanenitrile
CID 95619124
4-[(E,4R)-4-cyano-3-oxo-4-pyridin-2-ylbut-1-enyl]-N-methylbenzamide
CID 94217607

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide?
The IUPAC name of (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide (CID 97253741) is (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide.
What is the SMILES notation for (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide?
The canonical SMILES for (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide is C=CCNC(=O)[C@@H](C#N)c1ccccn1.
What is the InChIKey of (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide?
The InChIKey is FZMULNDTDPGIRV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-6-14-11(15)9(8-12)10-5-3-4-7-13-10/h2-5,7,9H,1,6H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide?
(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide has a molecular weight of 201.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 97253741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).