(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide

C18H23N3O2 — CID 95196207

IUPAC(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O2/c1-3-20(4-2)18(23)16-10-7-11-21(16)17(22)15-12-13-8-5-6-9-14(13)19-15/h5-6,8-9,12,16,19H,3-4,7,10-11H2,1-2H3/t16-/m0/s1
InChIKeyBRPNKHGDHPJKCD-INIZCTEOSA-N
MW313.40 g/mol
LogP2.64
Rot. Bonds4

About (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 95196207) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID95196207
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O2/c1-3-20(4-2)18(23)16-10-7-11-21(16)17(22)15-12-13-8-5-6-9-14(13)19-15/h5-6,8-9,12,16,19H,3-4,7,10-11H2,1-2H3/t16-/m0/s1
InChIKeyBRPNKHGDHPJKCD-INIZCTEOSA-N
XLogP2.64
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
CID 58982544
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110107752
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 41141951
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179
[3-[(dimethylamino)methyl]-1,4-thiazepan-4-yl]-(1H-indol-2-yl)methanone
CID 90568025
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide (CID 95196207) is (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is BRPNKHGDHPJKCD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-20(4-2)18(23)16-10-7-11-21(16)17(22)15-12-13-8-5-6-9-14(13)19-15/h5-6,8-9,12,16,19H,3-4,7,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95196207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).