1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

C19H22ClN3O2 — CID 119450160

IUPAC1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O2.ClH/c23-18-10-14(19(24)21-15-8-9-20-11-15)12-22(18)17-7-3-5-13-4-1-2-6-16(13)17;/h1-7,14-15,20H,8-12H2,(H,21,24);1H
InChIKeyZQQGNOJZGZVYLQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.09
Rot. Bonds3

About 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119450160) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119450160
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O2.ClH/c23-18-10-14(19(24)21-15-8-9-20-11-15)12-22(18)17-7-3-5-13-4-1-2-6-16(13)17;/h1-7,14-15,20H,8-12H2,(H,21,24);1H
InChIKeyZQQGNOJZGZVYLQ-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
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N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
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1-(2-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
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N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
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1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
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(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 119450160) is 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZQQGNOJZGZVYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c23-18-10-14(19(24)21-15-8-9-20-11-15)12-22(18)17-7-3-5-13-4-1-2-6-16(13)17;/h1-7,14-15,20H,8-12H2,(H,21,24);1H.
What are the key properties of 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119450160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).