2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C21H21N5O3 — CID 169394230

IUPAC2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1CCN(C(=O)COc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)CC1
InChIInChI=1S/C21H21N5O3/c1-13-6-8-26(9-7-13)18(27)12-29-17-5-3-2-4-14(17)19-15(10-22)20(24)25-21(28)16(19)11-23/h2-5,13H,6-9,12H2,1H3,(H3,24,25,28)
InChIKeyBGPKBYMCWLSIQP-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394230) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394230
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1CCN(C(=O)COc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)CC1
InChIInChI=1S/C21H21N5O3/c1-13-6-8-26(9-7-13)18(27)12-29-17-5-3-2-4-14(17)19-15(10-22)20(24)25-21(28)16(19)11-23/h2-5,13H,6-9,12H2,1H3,(H3,24,25,28)
InChIKeyBGPKBYMCWLSIQP-UHFFFAOYSA-N
XLogP2.00
TPSA136.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid
CID 169394440
ethyl 6-amino-5-cyano-2-methyl-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-4H-pyran-3-carboxylate
CID 169391364
2,4-diamino-6-[[(1S)-1-[5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118677731
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393480
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2380096
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-bromophenoxy]-N-(4-methylphenyl)acetamide
CID 169395130
N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide
CID 78779545
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4648818

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394230) is 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is CC1CCN(C(=O)COc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)CC1.
What is the InChIKey of 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is BGPKBYMCWLSIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-6-8-26(9-7-13)18(27)12-29-17-5-3-2-4-14(17)19-15(10-22)20(24)25-21(28)16(19)11-23/h2-5,13H,6-9,12H2,1H3,(H3,24,25,28).
What are the key properties of 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 391.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).