1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea

C17H24N4O2 — CID 75381448

IUPAC1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
SMILESCCC(=O)N1CCC(NC(=O)Nc2cccc3c2CCN3C)C1
InChIInChI=1S/C17H24N4O2/c1-3-16(22)21-10-7-12(11-21)18-17(23)19-14-5-4-6-15-13(14)8-9-20(15)2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,19,23)
InChIKeyCNHCCBAGWNBUGX-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.81
Rot. Bonds3

About 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea

1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea (PubChem CID 75381448) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
PubChem CID75381448
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
SMILESCCC(=O)N1CCC(NC(=O)Nc2cccc3c2CCN3C)C1
InChIInChI=1S/C17H24N4O2/c1-3-16(22)21-10-7-12(11-21)18-17(23)19-14-5-4-6-15-13(14)8-9-20(15)2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,19,23)
InChIKeyCNHCCBAGWNBUGX-UHFFFAOYSA-N
XLogP1.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
CID 97157122
4-[[(1-propanoylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122006815
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 124729881
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71917527
1-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97095078
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 98852990
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97227724
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55699121
1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97095090
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea
CID 24960233
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea (CID 75381448) is 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea is CCC(=O)N1CCC(NC(=O)Nc2cccc3c2CCN3C)C1.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?
The InChIKey is CNHCCBAGWNBUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-16(22)21-10-7-12(11-21)18-17(23)19-14-5-4-6-15-13(14)8-9-20(15)2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?
1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea has a molecular weight of 316.40 g/mol, XLogP of 1.81, 3 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-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea is sourced from PubChem (CID 75381448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).