1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea

C24H24N4O — CID 92892988

IUPAC1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C24H24N4O/c1-17-9-11-19(12-10-17)27-24(29)26-15-21(18-6-5-13-25-14-18)22-16-28(2)23-8-4-3-7-20(22)23/h3-14,16,21H,15H2,1-2H3,(H2,26,27,29)/t21-/m1/s1
InChIKeyCORRYBIIDGBJLA-OAQYLSRUSA-N
MW384.48 g/mol
LogP4.84
Rot. Bonds5

About 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea

1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea (PubChem CID 92892988) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
PubChem CID92892988
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C24H24N4O/c1-17-9-11-19(12-10-17)27-24(29)26-15-21(18-6-5-13-25-14-18)22-16-28(2)23-8-4-3-7-20(22)23/h3-14,16,21H,15H2,1-2H3,(H2,26,27,29)/t21-/m1/s1
InChIKeyCORRYBIIDGBJLA-OAQYLSRUSA-N
XLogP4.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801348
1-(3,4-dimethylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92892974
1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801401
1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92876063
1-(3-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801418
ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
CID 92892858
1-[(2S)-2-(1-ethylindol-3-yl)-2-pyridin-3-ylethyl]-3-(3-methylbutyl)urea
CID 92876056
1-[(2R)-2-(1-ethylindol-3-yl)-2-pyridin-3-ylethyl]-3-(3-methylbutyl)urea
CID 92876057
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea
CID 5211916

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea (CID 92892988) is 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea?
The InChIKey is CORRYBIIDGBJLA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-9-11-19(12-10-17)27-24(29)26-15-21(18-6-5-13-25-14-18)22-16-28(2)23-8-4-3-7-20(22)23/h3-14,16,21H,15H2,1-2H3,(H2,26,27,29)/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea?
1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea has a molecular weight of 384.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 92892988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).