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

C20H24N4O3 — CID 155019442

IUPAC4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)C(C)C)nc23)CC1
InChIInChI=1S/C20H24N4O3/c1-12(2)18(25)15-6-5-14-16(22-15)17(13(11-21)19(26)23-14)24-9-7-20(3,27-4)8-10-24/h5-6,12H,7-10H2,1-4H3,(H,23,26)
InChIKeySSCVNDXRZJAZGB-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.64
Rot. Bonds4

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

4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 155019442) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID155019442
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)C(C)C)nc23)CC1
InChIInChI=1S/C20H24N4O3/c1-12(2)18(25)15-6-5-14-16(22-15)17(13(11-21)19(26)23-14)24-9-7-20(3,27-4)8-10-24/h5-6,12H,7-10H2,1-4H3,(H,23,26)
InChIKeySSCVNDXRZJAZGB-UHFFFAOYSA-N
XLogP2.64
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 155019442) is 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)C(C)C)nc23)CC1.
What is the InChIKey of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is SSCVNDXRZJAZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)18(25)15-6-5-14-16(22-15)17(13(11-21)19(26)23-14)24-9-7-20(3,27-4)8-10-24/h5-6,12H,7-10H2,1-4H3,(H,23,26).
What are the key properties of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155019442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).