2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide

C20H23FN4O3 — CID 66917598

IUPAC2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide
SMILESNC(=O)C(C(=O)NC1CCCCC1)c1ccc(Oc2ccnc(N)c2)c(F)c1
InChIInChI=1S/C20H23FN4O3/c21-15-10-12(6-7-16(15)28-14-8-9-24-17(22)11-14)18(19(23)26)20(27)25-13-4-2-1-3-5-13/h6-11,13,18H,1-5H2,(H2,22,24)(H2,23,26)(H,25,27)
InChIKeyQGJMDFSSSUWXBO-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide

2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide (PubChem CID 66917598) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide.

Molecular Properties

Compound Name2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide
PubChem CID66917598
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide
SMILESNC(=O)C(C(=O)NC1CCCCC1)c1ccc(Oc2ccnc(N)c2)c(F)c1
InChIInChI=1S/C20H23FN4O3/c21-15-10-12(6-7-16(15)28-14-8-9-24-17(22)11-14)18(19(23)26)20(27)25-13-4-2-1-3-5-13/h6-11,13,18H,1-5H2,(H2,22,24)(H2,23,26)(H,25,27)
InChIKeyQGJMDFSSSUWXBO-UHFFFAOYSA-N
XLogP2.61
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide?
The IUPAC name of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide (CID 66917598) is 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide.
What is the SMILES notation for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide?
The canonical SMILES for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide is NC(=O)C(C(=O)NC1CCCCC1)c1ccc(Oc2ccnc(N)c2)c(F)c1.
What is the InChIKey of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide?
The InChIKey is QGJMDFSSSUWXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-15-10-12(6-7-16(15)28-14-8-9-24-17(22)11-14)18(19(23)26)20(27)25-13-4-2-1-3-5-13/h6-11,13,18H,1-5H2,(H2,22,24)(H2,23,26)(H,25,27).
What are the key properties of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide?
2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide has a molecular weight of 386.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide is sourced from PubChem (CID 66917598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).