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

C20H26N4O3 — CID 138518480

IUPAC6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(C)(C)CO)cc23)CC1
InChIInChI=1S/C20H26N4O3/c1-19(2,12-25)16-9-13-15(11-22-16)23-18(26)14(10-21)17(13)24-7-5-20(3,27-4)6-8-24/h9,11,25H,5-8,12H2,1-4H3,(H,23,26)
InChIKeyWQWACJPDNFJTSA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.07
Rot. Bonds4

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

6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518480) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518480
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(C)(C)CO)cc23)CC1
InChIInChI=1S/C20H26N4O3/c1-19(2,12-25)16-9-13-15(11-22-16)23-18(26)14(10-21)17(13)24-7-5-20(3,27-4)6-8-24/h9,11,25H,5-8,12H2,1-4H3,(H,23,26)
InChIKeyWQWACJPDNFJTSA-UHFFFAOYSA-N
XLogP2.07
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518480) is 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(C)(C)CO)cc23)CC1.
What is the InChIKey of 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is WQWACJPDNFJTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-19(2,12-25)16-9-13-15(11-22-16)23-18(26)14(10-21)17(13)24-7-5-20(3,27-4)6-8-24/h9,11,25H,5-8,12H2,1-4H3,(H,23,26).
What are the key properties of 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 370.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).