2-cyano-N-(pyridin-2-ylmethyl)acetamide

C9H9N3O — CID 2799775

IUPAC2-cyano-N-(pyridin-2-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1ccccn1
InChIInChI=1S/C9H9N3O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4,7H2,(H,12,13)
InChIKeyFAJRBOZBEUZSRG-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.61
Rot. Bonds3

About 2-cyano-N-(pyridin-2-ylmethyl)acetamide

2-cyano-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2799775) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-cyano-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2799775
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-cyano-N-(pyridin-2-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1ccccn1
InChIInChI=1S/C9H9N3O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4,7H2,(H,12,13)
InChIKeyFAJRBOZBEUZSRG-UHFFFAOYSA-N
XLogP0.61
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464
3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023302
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile
CID 10750496
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-(pyridin-2-ylmethyl)acetamide (CID 2799775) is 2-cyano-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-(pyridin-2-ylmethyl)acetamide is N#CCC(=O)NCc1ccccn1.
What is the InChIKey of 2-cyano-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FAJRBOZBEUZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4,7H2,(H,12,13).
What are the key properties of 2-cyano-N-(pyridin-2-ylmethyl)acetamide?
2-cyano-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 175.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2799775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).