1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride

C15H15ClN4O — CID 5311422

IUPAC1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
SMILESCl.Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21
InChIInChI=1S/C15H14N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-10H,1H3,(H2,17,18,20);1H
InChIKeyIGRYPUQJEDJLHC-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.64
Rot. Bonds2

About 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride

1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride (PubChem CID 5311422) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
PubChem CID5311422
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
SMILESCl.Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21
InChIInChI=1S/C15H14N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-10H,1H3,(H2,17,18,20);1H
InChIKeyIGRYPUQJEDJLHC-UHFFFAOYSA-N
XLogP3.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
The IUPAC name of 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride (CID 5311422) is 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride.
What is the SMILES notation for 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
The canonical SMILES for 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride is Cl.Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21.
What is the InChIKey of 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
The InChIKey is IGRYPUQJEDJLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-10H,1H3,(H2,17,18,20);1H.
What are the key properties of 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride has a molecular weight of 302.77 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride is sourced from PubChem (CID 5311422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).