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

C19H24N4O2 — CID 3239235

IUPAC1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1cccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C19H24N4O2/c1-15-4-2-6-17(12-15)22-19(24)21-14-18(16-5-3-7-20-13-16)23-8-10-25-11-9-23/h2-7,12-13,18H,8-11,14H2,1H3,(H2,21,22,24)
InChIKeySDARJYYVDDESEE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.59
Rot. Bonds5

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

1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea (PubChem CID 3239235) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
PubChem CID3239235
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1cccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C19H24N4O2/c1-15-4-2-6-17(12-15)22-19(24)21-14-18(16-5-3-7-20-13-16)23-8-10-25-11-9-23/h2-7,12-13,18H,8-11,14H2,1H3,(H2,21,22,24)
InChIKeySDARJYYVDDESEE-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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Related Compounds

Omecamtiv Mecarbil
CID 11689883
2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
N-5-isoquinolinyl-N'-[4-(4-morpholinyl)benzyl]urea
CID 10248092
N-{[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl}-N'-isoquinolin-5-ylurea
CID 10385728
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide
CID 46184344
N-benzyl-6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)hexanamide
CID 72734881
N'-(2-Phenylethyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017378
1-[3-[2-(4-Phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-3-ylurea
CID 70685781
1-[3-[2-(4-Phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
CID 70694146
1-[6-[Cyclohexylmethyl(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-4-ylurea
CID 76324594
1-[6-[Cyclohexylmethyl(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 76324595
1-(4-Butylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6466017

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea (CID 3239235) is 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea is Cc1cccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The InChIKey is SDARJYYVDDESEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-4-2-6-17(12-15)22-19(24)21-14-18(16-5-3-7-20-13-16)23-8-10-25-11-9-23/h2-7,12-13,18H,8-11,14H2,1H3,(H2,21,22,24).
What are the key properties of 1-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
1-(3-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-(3-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 3239235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).