3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C19H20N2O4 — CID 120550074

IUPAC3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2cccc(Oc3ccccn3)c2)C1
InChIInChI=1S/C19H20N2O4/c22-18(13-5-3-6-14(11-13)19(23)24)21-15-7-4-8-16(12-15)25-17-9-1-2-10-20-17/h1-2,4,7-10,12-14H,3,5-6,11H2,(H,21,22)(H,23,24)
InChIKeyUXDIJDZZSVNXNA-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.70
Rot. Bonds5

About 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120550074) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120550074
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2cccc(Oc3ccccn3)c2)C1
InChIInChI=1S/C19H20N2O4/c22-18(13-5-3-6-14(11-13)19(23)24)21-15-7-4-8-16(12-15)25-17-9-1-2-10-20-17/h1-2,4,7-10,12-14H,3,5-6,11H2,(H,21,22)(H,23,24)
InChIKeyUXDIJDZZSVNXNA-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

3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
N-(4-pyridin-2-yloxyphenyl)cyclopentanecarboxamide
CID 154837427
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789939
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea
CID 124608069
(2S,5R)-5-(aminomethyl)-N-(3-pyridin-2-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120800465
cis-(1R,3S)-3-[(2-phenylpyrimidin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 146121724

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120550074) is 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)Nc2cccc(Oc3ccccn3)c2)C1.
What is the InChIKey of 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UXDIJDZZSVNXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(13-5-3-6-14(11-13)19(23)24)21-15-7-4-8-16(12-15)25-17-9-1-2-10-20-17/h1-2,4,7-10,12-14H,3,5-6,11H2,(H,21,22)(H,23,24).
What are the key properties of 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(3-pyridin-2-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 3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120550074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).