3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide

C17H21N3O — CID 114802238

IUPAC3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESNCCC1CCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H21N3O/c18-10-8-13-9-11-20(12-13)17(21)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13H,8-12,18H2,(H,19,21)
InChIKeyHCUFMVQEZVUUFP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.04
Rot. Bonds3

About 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide

3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide (PubChem CID 114802238) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
PubChem CID114802238
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESNCCC1CCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H21N3O/c18-10-8-13-9-11-20(12-13)17(21)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13H,8-12,18H2,(H,19,21)
InChIKeyHCUFMVQEZVUUFP-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide (CID 114802238) is 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide is NCCC1CCN(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The InChIKey is HCUFMVQEZVUUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-10-8-13-9-11-20(12-13)17(21)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13H,8-12,18H2,(H,19,21).
What are the key properties of 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 114802238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).