1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea

C21H18N4O — CID 11962096

IUPAC1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea
SMILESCN(C(=O)Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H18N4O/c1-25(17-5-3-2-4-6-17)21(26)24-16-7-8-18-19(14-23-20(18)13-16)15-9-11-22-12-10-15/h2-14,23H,1H3,(H,24,26)
InChIKeyORUCRRGKIQFDCZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.90
Rot. Bonds3

About 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea

1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea (PubChem CID 11962096) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea
PubChem CID11962096
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea
SMILESCN(C(=O)Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H18N4O/c1-25(17-5-3-2-4-6-17)21(26)24-16-7-8-18-19(14-23-20(18)13-16)15-9-11-22-12-10-15/h2-14,23H,1H3,(H,24,26)
InChIKeyORUCRRGKIQFDCZ-UHFFFAOYSA-N
XLogP4.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
The IUPAC name of 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea (CID 11962096) is 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea.
What is the SMILES notation for 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
The canonical SMILES for 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea is CN(C(=O)Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
The InChIKey is ORUCRRGKIQFDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-25(17-5-3-2-4-6-17)21(26)24-16-7-8-18-19(14-23-20(18)13-16)15-9-11-22-12-10-15/h2-14,23H,1H3,(H,24,26).
What are the key properties of 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea has a molecular weight of 342.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3-(3-pyridin-4-yl-1H-indol-6-yl)urea is sourced from PubChem (CID 11962096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).