N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide

C19H19N3O4 — CID 2148451

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H19N3O4/c1-4-26-14-10-9-12-7-5-6-8-13(12)17(14)18(24)20-15-11-16(23)22(3)19(25)21(15)2/h5-11H,4H2,1-3H3,(H,20,24)
InChIKeyPOBHGMCMHKRQGZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.89
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide (PubChem CID 2148451) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide
PubChem CID2148451
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H19N3O4/c1-4-26-14-10-9-12-7-5-6-8-13(12)17(14)18(24)20-15-11-16(23)22(3)19(25)21(15)2/h5-11H,4H2,1-3H3,(H,20,24)
InChIKeyPOBHGMCMHKRQGZ-UHFFFAOYSA-N
XLogP1.89
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide (CID 2148451) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is POBHGMCMHKRQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-4-26-14-10-9-12-7-5-6-8-13(12)17(14)18(24)20-15-11-16(23)22(3)19(25)21(15)2/h5-11H,4H2,1-3H3,(H,20,24).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 2148451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).