(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

C17H22N4O3 — CID 56710618

IUPAC(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2ccc(OC)cc2n1C
InChIInChI=1S/C17H22N4O3/c1-19-16(22)14-7-11(18)9-21(14)17(23)15-6-10-4-5-12(24-3)8-13(10)20(15)2/h4-6,8,11,14H,7,9,18H2,1-3H3,(H,19,22)/t11-,14-/m0/s1
InChIKeyJYSSUJLWZUKMJQ-FZMZJTMJSA-N
MW330.39 g/mol
LogP0.47
Rot. Bonds3

About (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 56710618) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID56710618
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2ccc(OC)cc2n1C
InChIInChI=1S/C17H22N4O3/c1-19-16(22)14-7-11(18)9-21(14)17(23)15-6-10-4-5-12(24-3)8-13(10)20(15)2/h4-6,8,11,14H,7,9,18H2,1-3H3,(H,19,22)/t11-,14-/m0/s1
InChIKeyJYSSUJLWZUKMJQ-FZMZJTMJSA-N
XLogP0.47
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124948371
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 56748375
tert-butyl (3R)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 146318904
ethyl 2-[1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-2-yl]acetate
CID 70733882
(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56718530
(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70765873
(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56720955
11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171152557
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120636
6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide
CID 124855535
[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120952

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (CID 56710618) is (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2ccc(OC)cc2n1C.
What is the InChIKey of (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JYSSUJLWZUKMJQ-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-19-16(22)14-7-11(18)9-21(14)17(23)15-6-10-4-5-12(24-3)8-13(10)20(15)2/h4-6,8,11,14H,7,9,18H2,1-3H3,(H,19,22)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56710618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).