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

C24H24N4O2 — CID 50801348

IUPAC1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCOc1ccc(NC(=O)NCC(c2cccnc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C24H24N4O2/c1-28-16-22(20-7-3-4-8-23(20)28)21(17-6-5-13-25-14-17)15-26-24(29)27-18-9-11-19(30-2)12-10-18/h3-14,16,21H,15H2,1-2H3,(H2,26,27,29)
InChIKeyQHBZKUZDVHMGGS-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.54
Rot. Bonds6

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

1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (PubChem CID 50801348) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
PubChem CID50801348
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCOc1ccc(NC(=O)NCC(c2cccnc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C24H24N4O2/c1-28-16-22(20-7-3-4-8-23(20)28)21(17-6-5-13-25-14-17)15-26-24(29)27-18-9-11-19(30-2)12-10-18/h3-14,16,21H,15H2,1-2H3,(H2,26,27,29)
InChIKeyQHBZKUZDVHMGGS-UHFFFAOYSA-N
XLogP4.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
CID 92892988
1-(3,4-dimethylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92892974
1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92876063
1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801401
1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801418
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
CID 90490859
1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92875917
ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
CID 92892858
1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801426
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (CID 50801348) is 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is COc1ccc(NC(=O)NCC(c2cccnc2)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The InChIKey is QHBZKUZDVHMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-28-16-22(20-7-3-4-8-23(20)28)21(17-6-5-13-25-14-17)15-26-24(29)27-18-9-11-19(30-2)12-10-18/h3-14,16,21H,15H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea has a molecular weight of 400.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 50801348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).