2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile

C14H13N3O — CID 82897285

IUPAC2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
SMILESN#Cc1ccccc1NCCn1ccccc1=O
InChIInChI=1S/C14H13N3O/c15-11-12-5-1-2-6-13(12)16-8-10-17-9-4-3-7-14(17)18/h1-7,9,16H,8,10H2
InChIKeyVLBUCMAEMVXNKM-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.83
Rot. Bonds4

About 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile

2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile (PubChem CID 82897285) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
PubChem CID82897285
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
SMILESN#Cc1ccccc1NCCn1ccccc1=O
InChIInChI=1S/C14H13N3O/c15-11-12-5-1-2-6-13(12)16-8-10-17-9-4-3-7-14(17)18/h1-7,9,16H,8,10H2
InChIKeyVLBUCMAEMVXNKM-UHFFFAOYSA-N
XLogP1.83
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
CID 82897843
3-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897372
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
CID 43289161
2-(3-pyrrolidin-1-ylpropylamino)benzonitrile
CID 23324083
2-(5-aminopentylamino)benzonitrile
CID 164917879
1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile
CID 82908033
4-[2-(2-oxo-1-pyridinyl)ethylamino]benzamide
CID 82897188
1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one
CID 82897306
2-(3-aminopropylamino)benzonitrile
CID 62269856
2-(2-cyanoanilino)ethylurea
CID 83111551
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile?
The IUPAC name of 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile (CID 82897285) is 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile?
The canonical SMILES for 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile is N#Cc1ccccc1NCCn1ccccc1=O.
What is the InChIKey of 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile?
The InChIKey is VLBUCMAEMVXNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-11-12-5-1-2-6-13(12)16-8-10-17-9-4-3-7-14(17)18/h1-7,9,16H,8,10H2.
What are the key properties of 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile?
2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile is sourced from PubChem (CID 82897285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).