6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C19H24N4O4 — CID 164708367

IUPAC6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOCCOc1ccc2[nH]c(=O)c(C#N)c(N3CCC(C)(OC)CC3)c2n1
InChIInChI=1S/C19H24N4O4/c1-19(26-3)6-8-23(9-7-19)17-13(12-20)18(24)21-14-4-5-15(22-16(14)17)27-11-10-25-2/h4-5H,6-11H2,1-3H3,(H,21,24)
InChIKeyIURNOHTVOPYLFF-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.83
Rot. Bonds6

About 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 164708367) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID164708367
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOCCOc1ccc2[nH]c(=O)c(C#N)c(N3CCC(C)(OC)CC3)c2n1
InChIInChI=1S/C19H24N4O4/c1-19(26-3)6-8-23(9-7-19)17-13(12-20)18(24)21-14-4-5-15(22-16(14)17)27-11-10-25-2/h4-5H,6-11H2,1-3H3,(H,21,24)
InChIKeyIURNOHTVOPYLFF-UHFFFAOYSA-N
XLogP1.83
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 164708367) is 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is COCCOc1ccc2[nH]c(=O)c(C#N)c(N3CCC(C)(OC)CC3)c2n1.
What is the InChIKey of 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is IURNOHTVOPYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-19(26-3)6-8-23(9-7-19)17-13(12-20)18(24)21-14-4-5-15(22-16(14)17)27-11-10-25-2/h4-5H,6-11H2,1-3H3,(H,21,24).
What are the key properties of 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 164708367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).