1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

C20H24N4O3 — CID 60569503

IUPAC1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCc1c(NC(=O)NCCc2ccccn2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O3/c1-15-17(19(25)24-11-13-27-14-12-24)6-4-7-18(15)23-20(26)22-10-8-16-5-2-3-9-21-16/h2-7,9H,8,10-14H2,1H3,(H2,22,23,26)
InChIKeyKLJXGDIXXKLREO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 60569503) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID60569503
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCc1c(NC(=O)NCCc2ccccn2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O3/c1-15-17(19(25)24-11-13-27-14-12-24)6-4-7-18(15)23-20(26)22-10-8-16-5-2-3-9-21-16/h2-7,9H,8,10-14H2,1H3,(H2,22,23,26)
InChIKeyKLJXGDIXXKLREO-UHFFFAOYSA-N
XLogP2.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (CID 60569503) is 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is Cc1c(NC(=O)NCCc2ccccn2)cccc1C(=O)N1CCOCC1.
What is the InChIKey of 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is KLJXGDIXXKLREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-17(19(25)24-11-13-27-14-12-24)6-4-7-18(15)23-20(26)22-10-8-16-5-2-3-9-21-16/h2-7,9H,8,10-14H2,1H3,(H2,22,23,26).
What are the key properties of 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 368.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 60569503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).