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

C18H20N4O3 — CID 155119085

IUPAC6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(C)=O)nc23)CC1
InChIInChI=1S/C18H20N4O3/c1-11(23)13-4-5-14-15(20-13)16(12(10-19)17(24)21-14)22-8-6-18(2,25-3)7-9-22/h4-5H,6-9H2,1-3H3,(H,21,24)
InChIKeyIQLIWQNPLRWIEX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.00
Rot. Bonds3

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

6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 155119085) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID155119085
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(C)=O)nc23)CC1
InChIInChI=1S/C18H20N4O3/c1-11(23)13-4-5-14-15(20-13)16(12(10-19)17(24)21-14)22-8-6-18(2,25-3)7-9-22/h4-5H,6-9H2,1-3H3,(H,21,24)
InChIKeyIQLIWQNPLRWIEX-UHFFFAOYSA-N
XLogP2.00
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 155119085) is 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(C)=O)nc23)CC1.
What is the InChIKey of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is IQLIWQNPLRWIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(23)13-4-5-14-15(20-13)16(12(10-19)17(24)21-14)22-8-6-18(2,25-3)7-9-22/h4-5H,6-9H2,1-3H3,(H,21,24).
What are the key properties of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155119085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).