1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea

C18H14F2N4O2 — CID 150436720

IUPAC1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccn2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-21-18(25)24-16-9-15(26-17-12(19)5-4-6-13(17)20)11(10-23-16)14-7-2-3-8-22-14/h2-10H,1H3,(H2,21,23,24,25)
InChIKeyHKXPSXYWUJMHPI-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.97
Rot. Bonds4

About 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea

1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea (PubChem CID 150436720) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea
PubChem CID150436720
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccn2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-21-18(25)24-16-9-15(26-17-12(19)5-4-6-13(17)20)11(10-23-16)14-7-2-3-8-22-14/h2-10H,1H3,(H2,21,23,24,25)
InChIKeyHKXPSXYWUJMHPI-UHFFFAOYSA-N
XLogP3.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea (CID 150436720) is 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccn2)cn1.
What is the InChIKey of 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea?
The InChIKey is HKXPSXYWUJMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-21-18(25)24-16-9-15(26-17-12(19)5-4-6-13(17)20)11(10-23-16)14-7-2-3-8-22-14/h2-10H,1H3,(H2,21,23,24,25).
What are the key properties of 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea?
1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea has a molecular weight of 356.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 150436720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).