[4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid

C19H20FN3O4 — CID 22058468

IUPAC[4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O4/c20-12-3-9-15(10-4-12)27-18-16(2-1-11-21-18)17(24)22-13-5-7-14(8-6-13)23-19(25)26/h1-4,9-11,13-14,23H,5-8H2,(H,22,24)(H,25,26)
InChIKeyYPUGDNGRHASQTN-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.32
Rot. Bonds5

About [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid

[4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (PubChem CID 22058468) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
PubChem CID22058468
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name[4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O4/c20-12-3-9-15(10-4-12)27-18-16(2-1-11-21-18)17(24)22-13-5-7-14(8-6-13)23-19(25)26/h1-4,9-11,13-14,23H,5-8H2,(H,22,24)(H,25,26)
InChIKeyYPUGDNGRHASQTN-UHFFFAOYSA-N
XLogP3.32
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (CID 22058468) is [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is O=C(O)NC1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The InChIKey is YPUGDNGRHASQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-12-3-9-15(10-4-12)27-18-16(2-1-11-21-18)17(24)22-13-5-7-14(8-6-13)23-19(25)26/h1-4,9-11,13-14,23H,5-8H2,(H,22,24)(H,25,26).
What are the key properties of [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
[4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid has a molecular weight of 373.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 22058468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).