4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

C20H21FN2O4 — CID 146134800

IUPAC4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H21FN2O4/c21-15-8-10-17(11-9-15)27-18-3-1-2-16(23-18)12-22-19(24)13-4-6-14(7-5-13)20(25)26/h1-3,8-11,13-14H,4-7,12H2,(H,22,24)(H,25,26)
InChIKeyFTMGHOPHERIICK-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.52
Rot. Bonds6

About 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 146134800) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID146134800
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H21FN2O4/c21-15-8-10-17(11-9-15)27-18-3-1-2-16(23-18)12-22-19(24)13-4-6-14(7-5-13)20(25)26/h1-3,8-11,13-14H,4-7,12H2,(H,22,24)(H,25,26)
InChIKeyFTMGHOPHERIICK-UHFFFAOYSA-N
XLogP3.52
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 118348942
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55800492
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579
4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 167758245
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 146134800) is 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FTMGHOPHERIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-15-8-10-17(11-9-15)27-18-3-1-2-16(23-18)12-22-19(24)13-4-6-14(7-5-13)20(25)26/h1-3,8-11,13-14H,4-7,12H2,(H,22,24)(H,25,26).
What are the key properties of 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 146134800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).