4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C19H20N2O4 — CID 120674496

IUPAC4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(13-4-6-14(7-5-13)19(23)24)21-15-2-1-3-17(12-15)25-16-8-10-20-11-9-16/h1-3,8-14H,4-7H2,(H,21,22)(H,23,24)
InChIKeyLEIDEJLLAFEVBX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.70
Rot. Bonds5

About 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674496) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674496
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(13-4-6-14(7-5-13)19(23)24)21-15-2-1-3-17(12-15)25-16-8-10-20-11-9-16/h1-3,8-14H,4-7H2,(H,21,22)(H,23,24)
InChIKeyLEIDEJLLAFEVBX-UHFFFAOYSA-N
XLogP3.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 55348342
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120674496) is 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1.
What is the InChIKey of 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LEIDEJLLAFEVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(13-4-6-14(7-5-13)19(23)24)21-15-2-1-3-17(12-15)25-16-8-10-20-11-9-16/h1-3,8-14H,4-7H2,(H,21,22)(H,23,24).
What are the key properties of 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).