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

C18H14F2N4O2 — CID 155555013

IUPAC1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccncc2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-21-18(25)24-16-9-15(26-17-13(19)3-2-4-14(17)20)12(10-23-16)11-5-7-22-8-6-11/h2-10H,1H3,(H2,21,23,24,25)
InChIKeyIWVFBQVZWNETRM-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.97
Rot. Bonds4

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

1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea (PubChem CID 155555013) 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-4-yl-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea
PubChem CID155555013
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccncc2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-21-18(25)24-16-9-15(26-17-13(19)3-2-4-14(17)20)12(10-23-16)11-5-7-22-8-6-11/h2-10H,1H3,(H2,21,23,24,25)
InChIKeyIWVFBQVZWNETRM-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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea (CID 155555013) is 1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccncc2)cn1.
What is the InChIKey of 1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea?
The InChIKey is IWVFBQVZWNETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-21-18(25)24-16-9-15(26-17-13(19)3-2-4-14(17)20)12(10-23-16)11-5-7-22-8-6-11/h2-10H,1H3,(H2,21,23,24,25).
What are the key properties of 1-[4-(2,6-difluorophenoxy)-5-pyridin-4-yl-2-pyridinyl]-3-methylurea?
1-[4-(2,6-difluorophenoxy)-5-pyridin-4-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-4-yl-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155555013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).