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

C16H16N4O2 — CID 18101699

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
SMILESCC(=O)N1CCc2cc(NC(=O)Nc3cccnc3)ccc21
InChIInChI=1S/C16H16N4O2/c1-11(21)20-8-6-12-9-13(4-5-15(12)20)18-16(22)19-14-3-2-7-17-10-14/h2-5,7,9-10H,6,8H2,1H3,(H2,18,19,22)
InChIKeyOQHSVPPGXIMVKU-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.63
Rot. Bonds2

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

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea (PubChem CID 18101699) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
PubChem CID18101699
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
SMILESCC(=O)N1CCc2cc(NC(=O)Nc3cccnc3)ccc21
InChIInChI=1S/C16H16N4O2/c1-11(21)20-8-6-12-9-13(4-5-15(12)20)18-16(22)19-14-3-2-7-17-10-14/h2-5,7,9-10H,6,8H2,1H3,(H2,18,19,22)
InChIKeyOQHSVPPGXIMVKU-UHFFFAOYSA-N
XLogP2.63
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
CID 11957462
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea
CID 5296041
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10595858

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea (CID 18101699) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea is CC(=O)N1CCc2cc(NC(=O)Nc3cccnc3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
The InChIKey is OQHSVPPGXIMVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11(21)20-8-6-12-9-13(4-5-15(12)20)18-16(22)19-14-3-2-7-17-10-14/h2-5,7,9-10H,6,8H2,1H3,(H2,18,19,22).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea?
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea has a molecular weight of 296.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 18101699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).