1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea

C24H25FN4O3 — CID 47051100

IUPAC1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H25FN4O3/c25-20-7-3-8-21(15-20)32-23-18(6-4-10-26-23)16-27-24(30)28-22-9-2-1-5-19(22)17-29-11-13-31-14-12-29/h1-10,15H,11-14,16-17H2,(H2,27,28,30)
InChIKeyHTPCJRVIEQKSEN-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.17
Rot. Bonds7

About 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea

1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 47051100) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID47051100
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H25FN4O3/c25-20-7-3-8-21(15-20)32-23-18(6-4-10-26-23)16-27-24(30)28-22-9-2-1-5-19(22)17-29-11-13-31-14-12-29/h1-10,15H,11-14,16-17H2,(H2,27,28,30)
InChIKeyHTPCJRVIEQKSEN-UHFFFAOYSA-N
XLogP4.17
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]urea
CID 47041085
ethyl 4-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 55741558
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (CID 47051100) is 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is HTPCJRVIEQKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-20-7-3-8-21(15-20)32-23-18(6-4-10-26-23)16-27-24(30)28-22-9-2-1-5-19(22)17-29-11-13-31-14-12-29/h1-10,15H,11-14,16-17H2,(H2,27,28,30).
What are the key properties of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 436.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 47051100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).