1-cyano-N-(2-pyridin-3-ylethyl)formamide

C9H9N3O — CID 115172568

IUPAC1-cyano-N-(2-pyridin-3-ylethyl)formamide
SMILESN#CC(=O)NCCc1cccnc1
InChIInChI=1S/C9H9N3O/c10-6-9(13)12-5-3-8-2-1-4-11-7-8/h1-2,4,7H,3,5H2,(H,12,13)
InChIKeyDKNKDSRZMCKTIC-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.26
Rot. Bonds3

About 1-cyano-N-(2-pyridin-3-ylethyl)formamide

1-cyano-N-(2-pyridin-3-ylethyl)formamide (PubChem CID 115172568) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-cyano-N-(2-pyridin-3-ylethyl)formamide.

Molecular Properties

Compound Name1-cyano-N-(2-pyridin-3-ylethyl)formamide
PubChem CID115172568
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-cyano-N-(2-pyridin-3-ylethyl)formamide
SMILESN#CC(=O)NCCc1cccnc1
InChIInChI=1S/C9H9N3O/c10-6-9(13)12-5-3-8-2-1-4-11-7-8/h1-2,4,7H,3,5H2,(H,12,13)
InChIKeyDKNKDSRZMCKTIC-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
CID 115184826
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63645112
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
2,2-dimethyl-3-(2-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835010
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-pyridin-3-ylethyl)formamide?
The IUPAC name of 1-cyano-N-(2-pyridin-3-ylethyl)formamide (CID 115172568) is 1-cyano-N-(2-pyridin-3-ylethyl)formamide.
What is the SMILES notation for 1-cyano-N-(2-pyridin-3-ylethyl)formamide?
The canonical SMILES for 1-cyano-N-(2-pyridin-3-ylethyl)formamide is N#CC(=O)NCCc1cccnc1.
What is the InChIKey of 1-cyano-N-(2-pyridin-3-ylethyl)formamide?
The InChIKey is DKNKDSRZMCKTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-9(13)12-5-3-8-2-1-4-11-7-8/h1-2,4,7H,3,5H2,(H,12,13).
What are the key properties of 1-cyano-N-(2-pyridin-3-ylethyl)formamide?
1-cyano-N-(2-pyridin-3-ylethyl)formamide has a molecular weight of 175.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-pyridin-3-ylethyl)formamide is sourced from PubChem (CID 115172568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).