1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea

C15H16N4O — CID 6603998

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
SMILESCN1CCc2cc(NC(=O)Nc3cccnc3)ccc21
InChIInChI=1S/C15H16N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-5,7,9-10H,6,8H2,1H3,(H2,17,18,20)
InChIKeyAVGWYMLCNKIXFE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.72
Rot. Bonds2

About 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea

1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea (PubChem CID 6603998) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
PubChem CID6603998
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
SMILESCN1CCc2cc(NC(=O)Nc3cccnc3)ccc21
InChIInChI=1S/C15H16N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-5,7,9-10H,6,8H2,1H3,(H2,17,18,20)
InChIKeyAVGWYMLCNKIXFE-UHFFFAOYSA-N
XLogP2.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea (CID 6603998) is 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea is CN1CCc2cc(NC(=O)Nc3cccnc3)ccc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
The InChIKey is AVGWYMLCNKIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-5,7,9-10H,6,8H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea has a molecular weight of 268.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 6603998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).