N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide

C19H26N4O2 — CID 95302588

IUPACN-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H26N4O2/c1-22(2)19(25)17-5-3-11-23(17)12-4-9-21-18(24)15-7-6-14-8-10-20-16(14)13-15/h6-8,10,13,17,20H,3-5,9,11-12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyLZRQVLXGSVNUPS-KRWDZBQOSA-N
MW342.44 g/mol
LogP1.84
Rot. Bonds6

About N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide

N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide (PubChem CID 95302588) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
PubChem CID95302588
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H26N4O2/c1-22(2)19(25)17-5-3-11-23(17)12-4-9-21-18(24)15-7-6-14-8-10-20-16(14)13-15/h6-8,10,13,17,20H,3-5,9,11-12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyLZRQVLXGSVNUPS-KRWDZBQOSA-N
XLogP1.84
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95303248
(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95298954
(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
(2R)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 52518039
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
(2R)-1-[3-[(3-cyclopropylthiophene-2-carbonyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95339617
(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95338435
(2R)-N,N-dimethyl-1-[3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481387
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
CID 47343118
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
CID 146106973
N-[3-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 51134153

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide (CID 95302588) is N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide is CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide?
The InChIKey is LZRQVLXGSVNUPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(2)19(25)17-5-3-11-23(17)12-4-9-21-18(24)15-7-6-14-8-10-20-16(14)13-15/h6-8,10,13,17,20H,3-5,9,11-12H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide?
N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 95302588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).