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

C17H19N3O — CID 60942687

IUPAC3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCCCn1cc(NC(C)c2cccc(C#N)c2)ccc1=O
InChIInChI=1S/C17H19N3O/c1-3-9-20-12-16(7-8-17(20)21)19-13(2)15-6-4-5-14(10-15)11-18/h4-8,10,12-13,19H,3,9H2,1-2H3
InChIKeyQKOCANFKBXJOEL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds5

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

3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile (PubChem CID 60942687) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
PubChem CID60942687
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCCCn1cc(NC(C)c2cccc(C#N)c2)ccc1=O
InChIInChI=1S/C17H19N3O/c1-3-9-20-12-16(7-8-17(20)21)19-13(2)15-6-4-5-14(10-15)11-18/h4-8,10,12-13,19H,3,9H2,1-2H3
InChIKeyQKOCANFKBXJOEL-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-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942779
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
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-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
CID 54863912
3-[1-(3-chloro-4-ethoxyanilino)ethyl]benzonitrile
CID 60943016
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
2-chloro-5-[1-(3-cyanophenyl)ethylamino]benzonitrile
CID 43781788
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
CID 54864086

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
The IUPAC name of 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile (CID 60942687) is 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
The canonical SMILES for 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile is CCCn1cc(NC(C)c2cccc(C#N)c2)ccc1=O.
What is the InChIKey of 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
The InChIKey is QKOCANFKBXJOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-9-20-12-16(7-8-17(20)21)19-13(2)15-6-4-5-14(10-15)11-18/h4-8,10,12-13,19H,3,9H2,1-2H3.
What are the key properties of 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile?
3-[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 3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 60942687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).