6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C18H22N4O3 — CID 154638872

IUPAC6-[(1R)-1-hydroxyethyl]-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@@H](C)O)cc23)CC1
InChIInChI=1S/C18H22N4O3/c1-11(23)14-8-12-15(10-20-14)21-17(24)13(9-19)16(12)22-6-4-18(2,25-3)5-7-22/h8,10-11,23H,4-7H2,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeyXBMGBIJTHWLTPW-LLVKDONJSA-N
MW342.40 g/mol
LogP1.85
Rot. Bonds3

About 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 154638872) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID154638872
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-[(1R)-1-hydroxyethyl]-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@@H](C)O)cc23)CC1
InChIInChI=1S/C18H22N4O3/c1-11(23)14-8-12-15(10-20-14)21-17(24)13(9-19)16(12)22-6-4-18(2,25-3)5-7-22/h8,10-11,23H,4-7H2,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeyXBMGBIJTHWLTPW-LLVKDONJSA-N
XLogP1.85
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 154638872) is 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[(1R)-1-hydroxyethyl]-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@@H](C)O)cc23)CC1.
What is the InChIKey of 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is XBMGBIJTHWLTPW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(23)14-8-12-15(10-20-14)21-17(24)13(9-19)16(12)22-6-4-18(2,25-3)5-7-22/h8,10-11,23H,4-7H2,1-3H3,(H,21,24)/t11-/m1/s1.
What are the key properties of 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 342.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 154638872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).