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

C19H16F2N4O3 — CID 155541450

IUPAC1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccc(OC)nc2)cn1
InChIInChI=1S/C19H16F2N4O3/c1-22-19(26)25-16-8-15(28-18-13(20)4-3-5-14(18)21)12(10-23-16)11-6-7-17(27-2)24-9-11/h3-10H,1-2H3,(H2,22,23,25,26)
InChIKeyRWCGJSDTJAVVHZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.97
Rot. Bonds5

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

1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea (PubChem CID 155541450) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea
PubChem CID155541450
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccc(OC)nc2)cn1
InChIInChI=1S/C19H16F2N4O3/c1-22-19(26)25-16-8-15(28-18-13(20)4-3-5-14(18)21)12(10-23-16)11-6-7-17(27-2)24-9-11/h3-10H,1-2H3,(H2,22,23,25,26)
InChIKeyRWCGJSDTJAVVHZ-UHFFFAOYSA-N
XLogP3.97
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea (CID 155541450) is 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccc(OC)nc2)cn1.
What is the InChIKey of 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea?
The InChIKey is RWCGJSDTJAVVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-22-19(26)25-16-8-15(28-18-13(20)4-3-5-14(18)21)12(10-23-16)11-6-7-17(27-2)24-9-11/h3-10H,1-2H3,(H2,22,23,25,26).
What are the key properties of 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea?
1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea has a molecular weight of 386.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155541450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).