1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea

C18H21FN4O2 — CID 11667339

IUPAC1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)cc(CN3CCOCC3)c2)cn1
InChIInChI=1S/C18H21FN4O2/c1-13-2-3-16(11-20-13)21-18(24)22-17-9-14(8-15(19)10-17)12-23-4-6-25-7-5-23/h2-3,8-11H,4-7,12H2,1H3,(H2,21,22,24)
InChIKeyCRDVWGBEGHQSMQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.01
Rot. Bonds4

About 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea

1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 11667339) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID11667339
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)cc(CN3CCOCC3)c2)cn1
InChIInChI=1S/C18H21FN4O2/c1-13-2-3-16(11-20-13)21-18(24)22-17-9-14(8-15(19)10-17)12-23-4-6-25-7-5-23/h2-3,8-11H,4-7,12H2,1H3,(H2,21,22,24)
InChIKeyCRDVWGBEGHQSMQ-UHFFFAOYSA-N
XLogP3.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea 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-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea (CID 11667339) is 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cc(F)cc(CN3CCOCC3)c2)cn1.
What is the InChIKey of 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is CRDVWGBEGHQSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-2-3-16(11-20-13)21-18(24)22-17-9-14(8-15(19)10-17)12-23-4-6-25-7-5-23/h2-3,8-11H,4-7,12H2,1H3,(H2,21,22,24).
What are the key properties of 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea?
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 344.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 11667339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).