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

C36H42N8O6 — CID 164961725

IUPAC6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(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(C)=O)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(C)O)cc23)CC1
InChIInChI=1S/C18H22N4O3.C18H20N4O3/c2*1-11(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);8,10H,4-7H2,1-3H3,(H,21,24)
InChIKeyBXVVOCZVVDKXDG-UHFFFAOYSA-N
MW682.78 g/mol
LogP3.86
Rot. Bonds6

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

6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 164961725) has the molecular formula C36H42N8O6 and a molecular weight of 682.78 g/mol. Its IUPAC name is 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID164961725
Molecular FormulaC36H42N8O6
Molecular Weight682.78 g/mol
Exact Mass682.32
IUPAC Name6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(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(C)=O)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(C)O)cc23)CC1
InChIInChI=1S/C18H22N4O3.C18H20N4O3/c2*1-11(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);8,10H,4-7H2,1-3H3,(H,21,24)
InChIKeyBXVVOCZVVDKXDG-UHFFFAOYSA-N
XLogP3.86
TPSA201.32 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.78
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;1-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 164993416
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 165014595
N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 118889548
6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518174
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
CID 138518214
6-(1,2-dihydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518215
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518491
4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
CID 148913523
6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 154638868
6-[(1R)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 154638872
4-[4-(deuteriomethyl)-4-methoxypiperidin-1-yl]-6-(1-hydroxyethyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 154638903
6-[(1S)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 154638904

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 164961725) is 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(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(C)=O)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(C)O)cc23)CC1.
What is the InChIKey of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is BXVVOCZVVDKXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.C18H20N4O3/c2*1-11(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);8,10H,4-7H2,1-3H3,(H,21,24).
What are the key properties of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 682.78 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;6-(1-hydroxyethyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 164961725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).