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

C15H17ClN4O — CID 11957462

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
SMILESCN1CCc2cc(NC(=O)Nc3cccnc3)ccc21.Cl
InChIInChI=1S/C15H16N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-5,7,9-10H,6,8H2,1H3,(H2,17,18,20);1H
InChIKeyDVQOKTNCNCBQHC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.14
Rot. Bonds2

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

1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride (PubChem CID 11957462) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
PubChem CID11957462
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
SMILESCN1CCc2cc(NC(=O)Nc3cccnc3)ccc21.Cl
InChIInChI=1S/C15H16N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-5,7,9-10H,6,8H2,1H3,(H2,17,18,20);1H
InChIKeyDVQOKTNCNCBQHC-UHFFFAOYSA-N
XLogP3.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.14
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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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride (CID 11957462) is 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride is CN1CCc2cc(NC(=O)Nc3cccnc3)ccc21.Cl.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
The InChIKey is DVQOKTNCNCBQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-5,7,9-10H,6,8H2,1H3,(H2,17,18,20);1H.
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride?
1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 3.14, 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;hydrochloride is sourced from PubChem (CID 11957462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).