2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one

C19H25N3O — CID 58433102

IUPAC2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(C)NC)C1
InChIInChI=1S/C19H25N3O/c1-4-7-14-10-16(21-12-14)18-11-15-8-5-6-9-17(15)22(18)19(23)13(2)20-3/h5-6,8-9,12-13,18,20H,4,7,10-11H2,1-3H3
InChIKeyYMOQYDUONJOEOV-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.08
Rot. Bonds5

About 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one

2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 58433102) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID58433102
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(C)NC)C1
InChIInChI=1S/C19H25N3O/c1-4-7-14-10-16(21-12-14)18-11-15-8-5-6-9-17(15)22(18)19(23)13(2)20-3/h5-6,8-9,12-13,18,20H,4,7,10-11H2,1-3H3
InChIKeyYMOQYDUONJOEOV-UHFFFAOYSA-N
XLogP3.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride
CID 45488952
N-(cyclohexylcarbamoyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3609423
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
CID 4236752
Butabindide
CID 9817923
(2S)-aminobutyryl-(2S)-indoline carboxylic acid ethylamide
CID 11572637
(2S)-aminobutyryl-(2S)-indoline carboxylic acid propylamide
CID 11580133
(2S)-aminobutyryl-(2S)-indoline carboxylic acid methylamide
CID 11680498
1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471946
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471950
2-[(3R)-3-methylpiperazin-1-yl]-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
CID 71471953

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one (CID 58433102) is 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one is CCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(C)NC)C1.
What is the InChIKey of 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is YMOQYDUONJOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-7-14-10-16(21-12-14)18-11-15-8-5-6-9-17(15)22(18)19(23)13(2)20-3/h5-6,8-9,12-13,18,20H,4,7,10-11H2,1-3H3.
What are the key properties of 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 58433102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).