(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide

C15H17N3O2 — CID 128983948

IUPAC(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-9-7-18(8-12(9)14(16)19)15(20)11-3-2-10-4-5-17-13(10)6-11/h2-6,9,12,17H,7-8H2,1H3,(H2,16,19)/t9-,12-/m1/s1
InChIKeyKAIVDGXXWUWNNF-BXKDBHETSA-N
MW271.32 g/mol
LogP1.36
Rot. Bonds2

About (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 128983948) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID128983948
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-9-7-18(8-12(9)14(16)19)15(20)11-3-2-10-4-5-17-13(10)6-11/h2-6,9,12,17H,7-8H2,1H3,(H2,16,19)/t9-,12-/m1/s1
InChIKeyKAIVDGXXWUWNNF-BXKDBHETSA-N
XLogP1.36
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 72848895
(3S,4S)-1-(3-bromo-4-chlorobenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984101
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 155260403
(3S,4S)-1-[4-fluoro-3-(trifluoromethyl)benzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128984209
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207439

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide (CID 128983948) is (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is KAIVDGXXWUWNNF-BXKDBHETSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-7-18(8-12(9)14(16)19)15(20)11-3-2-10-4-5-17-13(10)6-11/h2-6,9,12,17H,7-8H2,1H3,(H2,16,19)/t9-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128983948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).