4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid

C15H19F2N3O4 — CID 122090044

IUPAC4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(OCC(F)F)n1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19F2N3O4/c16-11(17)8-24-13-3-1-2-12(19-13)20-15(23)18-10-6-4-9(5-7-10)14(21)22/h1-3,9-11H,4-8H2,(H,21,22)(H2,18,19,20,23)
InChIKeyQPBVFHHRJQWUSJ-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.49
Rot. Bonds6

About 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122090044) has the molecular formula C15H19F2N3O4 and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122090044
Molecular FormulaC15H19F2N3O4
Molecular Weight343.33 g/mol
Exact Mass343.13
IUPAC Name4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(OCC(F)F)n1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19F2N3O4/c16-11(17)8-24-13-3-1-2-12(19-13)20-15(23)18-10-6-4-9(5-7-10)14(21)22/h1-3,9-11H,4-8H2,(H,21,22)(H2,18,19,20,23)
InChIKeyQPBVFHHRJQWUSJ-UHFFFAOYSA-N
XLogP2.49
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086897
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide
CID 75436669
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
CID 75508141
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea
CID 138025674
4-[[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085114
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094575
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide
CID 119043080
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide
CID 119043093
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122090044) is 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cccc(OCC(F)F)n1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QPBVFHHRJQWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O4/c16-11(17)8-24-13-3-1-2-12(19-13)20-15(23)18-10-6-4-9(5-7-10)14(21)22/h1-3,9-11H,4-8H2,(H,21,22)(H2,18,19,20,23).
What are the key properties of 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122090044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).