1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea

C23H21ClN4O — CID 50801418

IUPAC1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCn1cc(C(CNC(=O)Nc2ccccc2Cl)c2cccnc2)c2ccccc21
InChIInChI=1S/C23H21ClN4O/c1-28-15-19(17-8-2-5-11-22(17)28)18(16-7-6-12-25-13-16)14-26-23(29)27-21-10-4-3-9-20(21)24/h2-13,15,18H,14H2,1H3,(H2,26,27,29)
InChIKeyAHXWYHXMQVUKFD-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.18
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea

1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (PubChem CID 50801418) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
PubChem CID50801418
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCn1cc(C(CNC(=O)Nc2ccccc2Cl)c2cccnc2)c2ccccc21
InChIInChI=1S/C23H21ClN4O/c1-28-15-19(17-8-2-5-11-22(17)28)18(16-7-6-12-25-13-16)14-26-23(29)27-21-10-4-3-9-20(21)24/h2-13,15,18H,14H2,1H3,(H2,26,27,29)
InChIKeyAHXWYHXMQVUKFD-UHFFFAOYSA-N
XLogP5.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
CID 92892988
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-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
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-[(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
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
CID 63120342

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (CID 50801418) is 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is Cn1cc(C(CNC(=O)Nc2ccccc2Cl)c2cccnc2)c2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The InChIKey is AHXWYHXMQVUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-28-15-19(17-8-2-5-11-22(17)28)18(16-7-6-12-25-13-16)14-26-23(29)27-21-10-4-3-9-20(21)24/h2-13,15,18H,14H2,1H3,(H2,26,27,29).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea has a molecular weight of 404.90 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 50801418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).