(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide

C16H21N3O2 — CID 97279098

IUPAC(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide
SMILESCc1cc2cccc(NC(=O)N3CC[C@H](N(C)C)C3)c2o1
InChIInChI=1S/C16H21N3O2/c1-11-9-12-5-4-6-14(15(12)21-11)17-16(20)19-8-7-13(10-19)18(2)3/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyQTFMAAZXJLLZLH-ZDUSSCGKSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds2

About (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide

(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide (PubChem CID 97279098) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide
PubChem CID97279098
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide
SMILESCc1cc2cccc(NC(=O)N3CC[C@H](N(C)C)C3)c2o1
InChIInChI=1S/C16H21N3O2/c1-11-9-12-5-4-6-14(15(12)21-11)17-16(20)19-8-7-13(10-19)18(2)3/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyQTFMAAZXJLLZLH-ZDUSSCGKSA-N
XLogP2.91
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
(3S)-3-(dimethylamino)-N-[2-(2-methylprop-2-enoxy)phenyl]pyrrolidine-1-carboxamide
CID 97438370
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92555087
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-fluorobenzoic acid
CID 81497654
(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 125129924
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
N-[4-(4-chlorophenoxy)phenyl]-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 72916566
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 28731167

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide (CID 97279098) is (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide is Cc1cc2cccc(NC(=O)N3CC[C@H](N(C)C)C3)c2o1.
What is the InChIKey of (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide?
The InChIKey is QTFMAAZXJLLZLH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-12-5-4-6-14(15(12)21-11)17-16(20)19-8-7-13(10-19)18(2)3/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide?
(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97279098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).