4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C18H22N4O4 — CID 122024721

IUPAC4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc(OC2CCN(C(=O)NC3CCC(C(=O)O)CC3)C2)nc1
InChIInChI=1S/C18H22N4O4/c19-9-12-1-6-16(20-10-12)26-15-7-8-22(11-15)18(25)21-14-4-2-13(3-5-14)17(23)24/h1,6,10,13-15H,2-5,7-8,11H2,(H,21,25)(H,23,24)
InChIKeyHXBSNJSHJDBOIM-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.76
Rot. Bonds4

About 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024721) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024721
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc(OC2CCN(C(=O)NC3CCC(C(=O)O)CC3)C2)nc1
InChIInChI=1S/C18H22N4O4/c19-9-12-1-6-16(20-10-12)26-15-7-8-22(11-15)18(25)21-14-4-2-13(3-5-14)17(23)24/h1,6,10,13-15H,2-5,7-8,11H2,(H,21,25)(H,23,24)
InChIKeyHXBSNJSHJDBOIM-UHFFFAOYSA-N
XLogP1.76
TPSA115.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
CID 71063607
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799121
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 53185867
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799106
6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248635
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71063615

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122024721) is 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is N#Cc1ccc(OC2CCN(C(=O)NC3CCC(C(=O)O)CC3)C2)nc1.
What is the InChIKey of 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HXBSNJSHJDBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c19-9-12-1-6-16(20-10-12)26-15-7-8-22(11-15)18(25)21-14-4-2-13(3-5-14)17(23)24/h1,6,10,13-15H,2-5,7-8,11H2,(H,21,25)(H,23,24).
What are the key properties of 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).