2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide

C17H21N3O — CID 102783676

IUPAC2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc3ccccc23)C1CN
InChIInChI=1S/C17H21N3O/c1-12-9-10-20(16(12)11-18)17(21)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12,16H,9-11,18H2,1H3,(H,19,21)
InChIKeyPNLKWLXTICZUOT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.04
Rot. Bonds2

About 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide

2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide (PubChem CID 102783676) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide
PubChem CID102783676
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc3ccccc23)C1CN
InChIInChI=1S/C17H21N3O/c1-12-9-10-20(16(12)11-18)17(21)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12,16H,9-11,18H2,1H3,(H,19,21)
InChIKeyPNLKWLXTICZUOT-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 115316435
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 114802238
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide (CID 102783676) is 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide is CC1CCN(C(=O)Nc2cccc3ccccc23)C1CN.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The InChIKey is PNLKWLXTICZUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-9-10-20(16(12)11-18)17(21)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12,16H,9-11,18H2,1H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 102783676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).