6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

C21H26N4O3 — CID 166389306

IUPAC6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CCN(C(=O)CC4CCC(=O)NC4)C3)[nH]c2c1
InChIInChI=1S/C21H26N4O3/c1-13-2-4-15-10-18(24-17(15)8-13)21(28)23-16-6-7-25(12-16)20(27)9-14-3-5-19(26)22-11-14/h2,4,8,10,14,16,24H,3,5-7,9,11-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyLJQACDZVWUARKS-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.72
Rot. Bonds4

About 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 166389306) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID166389306
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CCN(C(=O)CC4CCC(=O)NC4)C3)[nH]c2c1
InChIInChI=1S/C21H26N4O3/c1-13-2-4-15-10-18(24-17(15)8-13)21(28)23-16-6-7-25(12-16)20(27)9-14-3-5-19(26)22-11-14/h2,4,8,10,14,16,24H,3,5-7,9,11-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyLJQACDZVWUARKS-UHFFFAOYSA-N
XLogP1.72
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
(3R)-3-[(6-bromo-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590915
6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide
CID 128866997
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
CID 124841975
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 95160462
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
CID 110901916
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 166389306) is 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NC3CCN(C(=O)CC4CCC(=O)NC4)C3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is LJQACDZVWUARKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-2-4-15-10-18(24-17(15)8-13)21(28)23-16-6-7-25(12-16)20(27)9-14-3-5-19(26)22-11-14/h2,4,8,10,14,16,24H,3,5-7,9,11-12H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166389306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).