1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide

C16H21N3O2 — CID 106318302

IUPAC1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C16H21N3O2/c1-16(15(21)17-2)7-8-19(10-16)14(20)13-9-11-5-3-4-6-12(11)18-13/h3-6,13,18H,7-10H2,1-2H3,(H,17,21)/t13-,16?/m0/s1
InChIKeyMGRNRDVRGJPGTN-KNVGNIICSA-N
MW287.36 g/mol
LogP1.01
Rot. Bonds2

About 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318302) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318302
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C16H21N3O2/c1-16(15(21)17-2)7-8-19(10-16)14(20)13-9-11-5-3-4-6-12(11)18-13/h3-6,13,18H,7-10H2,1-2H3,(H,17,21)/t13-,16?/m0/s1
InChIKeyMGRNRDVRGJPGTN-KNVGNIICSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
8-azaspiro[4.5]decan-8-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 76986786
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318302) is 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)[C@@H]2Cc3ccccc3N2)C1.
What is the InChIKey of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is MGRNRDVRGJPGTN-KNVGNIICSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(15(21)17-2)7-8-19(10-16)14(20)13-9-11-5-3-4-6-12(11)18-13/h3-6,13,18H,7-10H2,1-2H3,(H,17,21)/t13-,16?/m0/s1.
What are the key properties of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).