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

C17H19N3O — CID 60943308

IUPAC4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCCCn1cc(NC(C)c2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C17H19N3O/c1-3-10-20-12-16(8-9-17(20)21)19-13(2)15-6-4-14(11-18)5-7-15/h4-9,12-13,19H,3,10H2,1-2H3
InChIKeyDIFCHGIXMLIAEU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds5

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

4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile (PubChem CID 60943308) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
PubChem CID60943308
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCCCn1cc(NC(C)c2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C17H19N3O/c1-3-10-20-12-16(8-9-17(20)21)19-13(2)15-6-4-14(11-18)5-7-15/h4-9,12-13,19H,3,10H2,1-2H3
InChIKeyDIFCHGIXMLIAEU-UHFFFAOYSA-N
XLogP3.30
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942779
3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942687
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
CID 60943542
5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
CID 54863912
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
CID 60943688
5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
CID 82963864
5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one
CID 60943818
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile (CID 60943308) is 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile is CCCn1cc(NC(C)c2ccc(C#N)cc2)ccc1=O.
What is the InChIKey of 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
The InChIKey is DIFCHGIXMLIAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-10-20-12-16(8-9-17(20)21)19-13(2)15-6-4-14(11-18)5-7-15/h4-9,12-13,19H,3,10H2,1-2H3.
What are the key properties of 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 60943308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).