3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide

C22H32N4O — CID 167748791

IUPAC3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)N2CCC(c3cn(C)c4ccccc34)C2)C1
InChIInChI=1S/C22H32N4O/c1-16(2)25-10-8-17(13-25)12-23-22(27)26-11-9-18(14-26)20-15-24(3)21-7-5-4-6-19(20)21/h4-7,15-18H,8-14H2,1-3H3,(H,23,27)
InChIKeyQQFRIQHZBNROTO-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.41
Rot. Bonds4

About 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide

3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 167748791) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID167748791
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)N2CCC(c3cn(C)c4ccccc34)C2)C1
InChIInChI=1S/C22H32N4O/c1-16(2)25-10-8-17(13-25)12-23-22(27)26-11-9-18(14-26)20-15-24(3)21-7-5-4-6-19(20)21/h4-7,15-18H,8-14H2,1-3H3,(H,23,27)
InChIKeyQQFRIQHZBNROTO-UHFFFAOYSA-N
XLogP3.41
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one
CID 46103716
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 167748791) is 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide is CC(C)N1CCC(CNC(=O)N2CCC(c3cn(C)c4ccccc34)C2)C1.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is QQFRIQHZBNROTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16(2)25-10-8-17(13-25)12-23-22(27)26-11-9-18(14-26)20-15-24(3)21-7-5-4-6-19(20)21/h4-7,15-18H,8-14H2,1-3H3,(H,23,27).
What are the key properties of 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167748791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).