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

C20H24N4O3 — CID 138518491

IUPAC6-[cyclopropyl(hydroxy)methyl]-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(O)C4CC4)cc23)CC1
InChIInChI=1S/C20H24N4O3/c1-20(27-2)5-7-24(8-6-20)17-13-9-15(18(25)12-3-4-12)22-11-16(13)23-19(26)14(17)10-21/h9,11-12,18,25H,3-8H2,1-2H3,(H,23,26)
InChIKeyUWMBLCKBUHPQDW-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.24
Rot. Bonds4

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

6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518491) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518491
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[cyclopropyl(hydroxy)methyl]-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(O)C4CC4)cc23)CC1
InChIInChI=1S/C20H24N4O3/c1-20(27-2)5-7-24(8-6-20)17-13-9-15(18(25)12-3-4-12)22-11-16(13)23-19(26)14(17)10-21/h9,11-12,18,25H,3-8H2,1-2H3,(H,23,26)
InChIKeyUWMBLCKBUHPQDW-UHFFFAOYSA-N
XLogP2.24
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518491) is 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[cyclopropyl(hydroxy)methyl]-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(O)C4CC4)cc23)CC1.
What is the InChIKey of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is UWMBLCKBUHPQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(27-2)5-7-24(8-6-20)17-13-9-15(18(25)12-3-4-12)22-11-16(13)23-19(26)14(17)10-21/h9,11-12,18,25H,3-8H2,1-2H3,(H,23,26).
What are the key properties of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).