5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide

C18H26N4O2 — CID 98852712

IUPAC5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)Nc1ccc2c(c1)CCN2C(N)=O
InChIInChI=1S/C18H26N4O2/c1-11-4-5-12(2)22(11)13(3)17(23)20-15-6-7-16-14(10-15)8-9-21(16)18(19)24/h6-7,10-13H,4-5,8-9H2,1-3H3,(H2,19,24)(H,20,23)/t11-,12+,13-/m1/s1
InChIKeyIOPDTODHMRCPIG-FRRDWIJNSA-N
MW330.43 g/mol
LogP2.33
Rot. Bonds3

About 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide

5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide (PubChem CID 98852712) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide
PubChem CID98852712
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)Nc1ccc2c(c1)CCN2C(N)=O
InChIInChI=1S/C18H26N4O2/c1-11-4-5-12(2)22(11)13(3)17(23)20-15-6-7-16-14(10-15)8-9-21(16)18(19)24/h6-7,10-13H,4-5,8-9H2,1-3H3,(H2,19,24)(H,20,23)/t11-,12+,13-/m1/s1
InChIKeyIOPDTODHMRCPIG-FRRDWIJNSA-N
XLogP2.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 63214737
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate
CID 97218193
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
CID 110837782

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide (CID 98852712) is 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide is C[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)Nc1ccc2c(c1)CCN2C(N)=O.
What is the InChIKey of 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide?
The InChIKey is IOPDTODHMRCPIG-FRRDWIJNSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11-4-5-12(2)22(11)13(3)17(23)20-15-6-7-16-14(10-15)8-9-21(16)18(19)24/h6-7,10-13H,4-5,8-9H2,1-3H3,(H2,19,24)(H,20,23)/t11-,12+,13-/m1/s1.
What are the key properties of 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide?
5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 98852712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).