5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile

C9H9N3O — CID 55292710

IUPAC5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
SMILESCC(=O)C(N)c1cncc(C#N)c1
InChIInChI=1S/C9H9N3O/c1-6(13)9(11)8-2-7(3-10)4-12-5-8/h2,4-5,9H,11H2,1H3
InChIKeyVFWJABRBHWAZEE-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.54
Rot. Bonds2

About 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile

5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile (PubChem CID 55292710) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
PubChem CID55292710
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
SMILESCC(=O)C(N)c1cncc(C#N)c1
InChIInChI=1S/C9H9N3O/c1-6(13)9(11)8-2-7(3-10)4-12-5-8/h2,4-5,9H,11H2,1H3
InChIKeyVFWJABRBHWAZEE-UHFFFAOYSA-N
XLogP0.54
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792
5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
CID 171880909
[1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid
CID 175327842
5-cyanopyridine-3-carboxylic acid
CID 22174782
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
(5-cyano-3-pyridinyl)urea
CID 159088018
ethane;ethyl 5-cyanopyridine-3-carboxylate
CID 145385789
5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride
CID 69145462
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile
CID 155247391

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile (CID 55292710) is 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile is CC(=O)C(N)c1cncc(C#N)c1.
What is the InChIKey of 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile?
The InChIKey is VFWJABRBHWAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6(13)9(11)8-2-7(3-10)4-12-5-8/h2,4-5,9H,11H2,1H3.
What are the key properties of 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile?
5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 55292710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).