1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea

C18H22N4O2 — CID 3240651

IUPAC1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C18H22N4O2/c23-18(21-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)22-9-11-24-12-10-22/h1-8,13,17H,9-12,14H2,(H2,20,21,23)
InChIKeySCOYYLUSVCRBQZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea

1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea (PubChem CID 3240651) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
PubChem CID3240651
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C18H22N4O2/c23-18(21-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)22-9-11-24-12-10-22/h1-8,13,17H,9-12,14H2,(H2,20,21,23)
InChIKeySCOYYLUSVCRBQZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
The IUPAC name of 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea (CID 3240651) is 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
The canonical SMILES for 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea is O=C(NCC(c1cccnc1)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
The InChIKey is SCOYYLUSVCRBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(21-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)22-9-11-24-12-10-22/h1-8,13,17H,9-12,14H2,(H2,20,21,23).
What are the key properties of 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea has a molecular weight of 326.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylurea is sourced from PubChem (CID 3240651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).