2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile

C23H25N5O4 — CID 122243431

IUPAC2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCCC(Oc3cc(C#N)ccn3)C2)C1=O
InChIInChI=1S/C23H25N5O4/c1-31-20-7-3-2-6-19(20)28-12-11-27(23(28)30)16-22(29)26-10-4-5-18(15-26)32-21-13-17(14-24)8-9-25-21/h2-3,6-9,13,18H,4-5,10-12,15-16H2,1H3
InChIKeySMFSCWUDHJAMOR-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile

2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122243431) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122243431
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCCC(Oc3cc(C#N)ccn3)C2)C1=O
InChIInChI=1S/C23H25N5O4/c1-31-20-7-3-2-6-19(20)28-12-11-27(23(28)30)16-22(29)26-10-4-5-18(15-26)32-21-13-17(14-24)8-9-25-21/h2-3,6-9,13,18H,4-5,10-12,15-16H2,1H3
InChIKeySMFSCWUDHJAMOR-UHFFFAOYSA-N
XLogP2.27
TPSA99.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
CID 122161141
2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
4-[1-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256987
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-fluorophenyl)imidazolidin-2-one
CID 122259063
3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 138988354
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
2-[(3R)-1-(cyclohexa-1,5-diene-1-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 130393610
1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
CID 121018069
2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252469
2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252461
1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 100629286

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile (CID 122243431) is 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile is COc1ccccc1N1CCN(CC(=O)N2CCCC(Oc3cc(C#N)ccn3)C2)C1=O.
What is the InChIKey of 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is SMFSCWUDHJAMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-20-7-3-2-6-19(20)28-12-11-27(23(28)30)16-22(29)26-10-4-5-18(15-26)32-21-13-17(14-24)8-9-25-21/h2-3,6-9,13,18H,4-5,10-12,15-16H2,1H3.
What are the key properties of 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 435.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122243431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).