4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile

C16H17N3O — CID 60942779

IUPAC4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCCn1cc(NC(C)c2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C16H17N3O/c1-3-19-11-15(8-9-16(19)20)18-12(2)14-6-4-13(10-17)5-7-14/h4-9,11-12,18H,3H2,1-2H3
InChIKeyOUGMKEUDQJAPRG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.91
Rot. Bonds4

About 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile

4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile (PubChem CID 60942779) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
PubChem CID60942779
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCCn1cc(NC(C)c2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C16H17N3O/c1-3-19-11-15(8-9-16(19)20)18-12(2)14-6-4-13(10-17)5-7-14/h4-9,11-12,18H,3H2,1-2H3
InChIKeyOUGMKEUDQJAPRG-UHFFFAOYSA-N
XLogP2.91
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
CID 60943542
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942687
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60943912
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
CID 60944027
5-[1-(2,5-difluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942405

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile (CID 60942779) is 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile is CCn1cc(NC(C)c2ccc(C#N)cc2)ccc1=O.
What is the InChIKey of 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile?
The InChIKey is OUGMKEUDQJAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-19-11-15(8-9-16(19)20)18-12(2)14-6-4-13(10-17)5-7-14/h4-9,11-12,18H,3H2,1-2H3.
What are the key properties of 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile?
4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 60942779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).