6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile

C20H18N2O2 — CID 14957796

IUPAC6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile
SMILESCCC1(CC)C=C(n2ccccc2=O)c2cc(C#N)ccc2C1=O
InChIInChI=1S/C20H18N2O2/c1-3-20(4-2)12-17(22-10-6-5-7-18(22)23)16-11-14(13-21)8-9-15(16)19(20)24/h5-12H,3-4H2,1-2H3
InChIKeyBGFSMMGSVTUOEU-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.61
Rot. Bonds3

About 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile

6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile (PubChem CID 14957796) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile
PubChem CID14957796
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile
SMILESCCC1(CC)C=C(n2ccccc2=O)c2cc(C#N)ccc2C1=O
InChIInChI=1S/C20H18N2O2/c1-3-20(4-2)12-17(22-10-6-5-7-18(22)23)16-11-14(13-21)8-9-15(16)19(20)24/h5-12H,3-4H2,1-2H3
InChIKeyBGFSMMGSVTUOEU-UHFFFAOYSA-N
XLogP3.61
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile
CID 230488
UR 8225
CID 198778
2-Benzoyl-3-methyl-1,2-dihydroisoquinoline-1-carbonitrile
CID 265192
1-[[3,4-Dihydro-4-oxo-3,3-dimethyl-7-(trifluoromethyl)naphthalen]-1-yl]pyridin-2(1H)-one
CID 14957725
1-[3,3-Dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one
CID 14957730
1,2-Dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-6-ethynylnaphthalen-1-one
CID 14957731
6,6-dimethyl-5-oxo-8-(3-oxo-1H-isoindol-2-yl)naphthalene-2-carbonitrile
CID 14957784
6-[3-(Dimethylamino)propyl]-5,11-dioxoindeno[1,2-c]isoquinoline-3-carbonitrile
CID 71544866
4,6-Dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 661577
1-(7-Acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957734
6,6-Dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)naphthalene-2-carbonitrile
CID 14957744
1,1-Dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile
CID 14896393

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile?
The IUPAC name of 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile (CID 14957796) is 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile.
What is the SMILES notation for 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile?
The canonical SMILES for 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile is CCC1(CC)C=C(n2ccccc2=O)c2cc(C#N)ccc2C1=O.
What is the InChIKey of 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile?
The InChIKey is BGFSMMGSVTUOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-3-20(4-2)12-17(22-10-6-5-7-18(22)23)16-11-14(13-21)8-9-15(16)19(20)24/h5-12H,3-4H2,1-2H3.
What are the key properties of 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile?
6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile is sourced from PubChem (CID 14957796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).