2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide

C17H21N3O — CID 115316435

IUPAC2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESCNCC1CCCN1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-18-12-14-8-5-11-20(14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21)
InChIKeyOVXWWAOOUVUMPN-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.06
Rot. Bonds3

About 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide

2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide (PubChem CID 115316435) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
PubChem CID115316435
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESCNCC1CCCN1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-18-12-14-8-5-11-20(14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21)
InChIKeyOVXWWAOOUVUMPN-UHFFFAOYSA-N
XLogP3.06
TPSA44.37 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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316424
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 102783676
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119651466

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide (CID 115316435) is 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide is CNCC1CCCN1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The InChIKey is OVXWWAOOUVUMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-12-14-8-5-11-20(14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115316435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).