4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C17H20N4O2 — CID 138518550

IUPAC4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C)cc23)CC1
InChIInChI=1S/C17H20N4O2/c1-11-8-12-14(10-19-11)20-16(22)13(9-18)15(12)21-6-4-17(2,23-3)5-7-21/h8,10H,4-7H2,1-3H3,(H,20,22)
InChIKeyUNEKXSMKACSFHR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.11
Rot. Bonds2

About 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518550) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518550
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C)cc23)CC1
InChIInChI=1S/C17H20N4O2/c1-11-8-12-14(10-19-11)20-16(22)13(9-18)15(12)21-6-4-17(2,23-3)5-7-21/h8,10H,4-7H2,1-3H3,(H,20,22)
InChIKeyUNEKXSMKACSFHR-UHFFFAOYSA-N
XLogP2.11
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518550) is 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C)cc23)CC1.
What is the InChIKey of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is UNEKXSMKACSFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-8-12-14(10-19-11)20-16(22)13(9-18)15(12)21-6-4-17(2,23-3)5-7-21/h8,10H,4-7H2,1-3H3,(H,20,22).
What are the key properties of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).