5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C20H24N2O5 — CID 120822564

IUPAC5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1C(=O)O
InChIInChI=1S/C20H24N2O5/c1-2-16-15(20(24)25)11-17(27-16)19(23)22-12-13-8-9-21-18(10-13)26-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyLNTUECOZKARJCB-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.58
Rot. Bonds7

About 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822564) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822564
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1C(=O)O
InChIInChI=1S/C20H24N2O5/c1-2-16-15(20(24)25)11-17(27-16)19(23)22-12-13-8-9-21-18(10-13)26-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyLNTUECOZKARJCB-UHFFFAOYSA-N
XLogP3.58
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide
CID 55842196
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822323
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
CID 60612889
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822564) is 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1C(=O)O.
What is the InChIKey of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is LNTUECOZKARJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-2-16-15(20(24)25)11-17(27-16)19(23)22-12-13-8-9-21-18(10-13)26-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).