1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile

C16H17N3O — CID 82099044

IUPAC1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCN(C)CCn1c(-c2ccccc2)ccc(C#N)c1=O
InChIInChI=1S/C16H17N3O/c1-18(2)10-11-19-15(13-6-4-3-5-7-13)9-8-14(12-17)16(19)20/h3-9H,10-11H2,1-2H3
InChIKeyDVZIPVCKUKKPNM-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile

1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile (PubChem CID 82099044) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
PubChem CID82099044
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCN(C)CCn1c(-c2ccccc2)ccc(C#N)c1=O
InChIInChI=1S/C16H17N3O/c1-18(2)10-11-19-15(13-6-4-3-5-7-13)9-8-14(12-17)16(19)20/h3-9H,10-11H2,1-2H3
InChIKeyDVZIPVCKUKKPNM-UHFFFAOYSA-N
XLogP1.95
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82099097
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
propan-2-yl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate
CID 82099014
1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099513
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile (CID 82099044) is 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile is CN(C)CCn1c(-c2ccccc2)ccc(C#N)c1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile?
The InChIKey is DVZIPVCKUKKPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-18(2)10-11-19-15(13-6-4-3-5-7-13)9-8-14(12-17)16(19)20/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile?
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 82099044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).