6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide

C18H16N2O3 — CID 14957738

IUPAC6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C(N)=O)ccc2C1=O
InChIInChI=1S/C18H16N2O3/c1-18(2)10-14(20-8-4-3-5-15(20)21)13-9-11(17(19)23)6-7-12(13)16(18)22/h3-10H,1-2H3,(H2,19,23)
InChIKeyKFAZKKNVBUVTCW-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.06
Rot. Bonds2

About 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide

6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide (PubChem CID 14957738) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide
PubChem CID14957738
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C(N)=O)ccc2C1=O
InChIInChI=1S/C18H16N2O3/c1-18(2)10-14(20-8-4-3-5-15(20)21)13-9-11(17(19)23)6-7-12(13)16(18)22/h3-10H,1-2H3,(H2,19,23)
InChIKeyKFAZKKNVBUVTCW-UHFFFAOYSA-N
XLogP2.06
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide?
The IUPAC name of 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide (CID 14957738) is 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide?
The canonical SMILES for 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide is CC1(C)C=C(n2ccccc2=O)c2cc(C(N)=O)ccc2C1=O.
What is the InChIKey of 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide?
The InChIKey is KFAZKKNVBUVTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-18(2)10-14(20-8-4-3-5-15(20)21)13-9-11(17(19)23)6-7-12(13)16(18)22/h3-10H,1-2H3,(H2,19,23).
What are the key properties of 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide?
6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide is sourced from PubChem (CID 14957738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).