N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C19H24ClN3O2 — CID 119430135

IUPACN-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-20-10-5-11-21-19(24)15-12-18(23)22(13-15)17-9-4-7-14-6-2-3-8-16(14)17;/h2-4,6-9,15,20H,5,10-13H2,1H3,(H,21,24);1H
InChIKeyCCJJXEAFXSJFFT-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119430135) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119430135
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-20-10-5-11-21-19(24)15-12-18(23)22(13-15)17-9-4-7-14-6-2-3-8-16(14)17;/h2-4,6-9,15,20H,5,10-13H2,1H3,(H,21,24);1H
InChIKeyCCJJXEAFXSJFFT-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 71850076
1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46545515
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 17392000
1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119510489
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119430135) is N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CNCCCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is CCJJXEAFXSJFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-20-10-5-11-21-19(24)15-12-18(23)22(13-15)17-9-4-7-14-6-2-3-8-16(14)17;/h2-4,6-9,15,20H,5,10-13H2,1H3,(H,21,24);1H.
What are the key properties of N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119430135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).