1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea

C17H21N5O2 — CID 71937794

IUPAC1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)Nc1cccnc1N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H21N5O2/c1-13(14-5-2-3-7-18-14)20-17(23)21-15-6-4-8-19-16(15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23)
InChIKeyPOVOFIKETVHMIK-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.20
Rot. Bonds4

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

1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea (PubChem CID 71937794) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea
PubChem CID71937794
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)Nc1cccnc1N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H21N5O2/c1-13(14-5-2-3-7-18-14)20-17(23)21-15-6-4-8-19-16(15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23)
InChIKeyPOVOFIKETVHMIK-UHFFFAOYSA-N
XLogP2.20
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea (CID 71937794) is 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea is CC(NC(=O)Nc1cccnc1N1CCOCC1)c1ccccn1.
What is the InChIKey of 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is POVOFIKETVHMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(14-5-2-3-7-18-14)20-17(23)21-15-6-4-8-19-16(15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea?
1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 327.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 71937794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).