N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C17H21N3O — CID 122143234

IUPACN-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCn1ccc2ccc(NC(=O)N3CC4CCCC4C3)cc21
InChIInChI=1S/C17H21N3O/c1-19-8-7-12-5-6-15(9-16(12)19)18-17(21)20-10-13-3-2-4-14(13)11-20/h5-9,13-14H,2-4,10-11H2,1H3,(H,18,21)
InChIKeyLWLIQBANESXYRY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.44
Rot. Bonds1

About N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 122143234) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID122143234
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCn1ccc2ccc(NC(=O)N3CC4CCCC4C3)cc21
InChIInChI=1S/C17H21N3O/c1-19-8-7-12-5-6-15(9-16(12)19)18-17(21)20-10-13-3-2-4-14(13)11-20/h5-9,13-14H,2-4,10-11H2,1H3,(H,18,21)
InChIKeyLWLIQBANESXYRY-UHFFFAOYSA-N
XLogP3.44
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
3-methyl-1-[(1-methylindol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091024
(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
CID 75485035
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490510
1-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-(1-methylindol-6-yl)urea
CID 136585512
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798539

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 122143234) is N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is Cn1ccc2ccc(NC(=O)N3CC4CCCC4C3)cc21.
What is the InChIKey of N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is LWLIQBANESXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-8-7-12-5-6-15(9-16(12)19)18-17(21)20-10-13-3-2-4-14(13)11-20/h5-9,13-14H,2-4,10-11H2,1H3,(H,18,21).
What are the key properties of N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 122143234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).