6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid

C20H24N2O3 — CID 166289705

IUPAC6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid
SMILESCCN(C)CC1CCN(C(=O)c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C20H24N2O3/c1-3-21(2)12-14-8-9-22(13-14)19(23)17-6-4-16-11-18(20(24)25)7-5-15(16)10-17/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,24,25)
InChIKeyDKWHGCGOLDCFNH-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.95
Rot. Bonds5

About 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid

6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid (PubChem CID 166289705) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid
PubChem CID166289705
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid
SMILESCCN(C)CC1CCN(C(=O)c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C20H24N2O3/c1-3-21(2)12-14-8-9-22(13-14)19(23)17-6-4-16-11-18(20(24)25)7-5-15(16)10-17/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,24,25)
InChIKeyDKWHGCGOLDCFNH-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549
(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119895929
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647548
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
2-amino-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119896673
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 97317013
[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone
CID 96570255

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid (CID 166289705) is 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid is CCN(C)CC1CCN(C(=O)c2ccc3cc(C(=O)O)ccc3c2)C1.
What is the InChIKey of 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid?
The InChIKey is DKWHGCGOLDCFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-21(2)12-14-8-9-22(13-14)19(23)17-6-4-16-11-18(20(24)25)7-5-15(16)10-17/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid?
6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 166289705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).