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

C19H24N4O2 — CID 3241009

IUPAC1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-15-4-6-17(7-5-15)22-19(24)21-14-18(16-3-2-8-20-13-16)23-9-11-25-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H2,21,22,24)
InChIKeyFMNIJGVCDVHQPV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.59
Rot. Bonds5

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

1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea (PubChem CID 3241009) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
PubChem CID3241009
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-15-4-6-17(7-5-15)22-19(24)21-14-18(16-3-2-8-20-13-16)23-9-11-25-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H2,21,22,24)
InChIKeyFMNIJGVCDVHQPV-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea (CID 3241009) is 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea is Cc1ccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The InChIKey is FMNIJGVCDVHQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-4-6-17(7-5-15)22-19(24)21-14-18(16-3-2-8-20-13-16)23-9-11-25-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 3241009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).