1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

C20H24ClN3O2 — CID 119510489

IUPAC1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C20H23N3O2.ClH/c24-19-11-15(20(25)22-12-16-7-4-10-21-16)13-23(19)18-9-3-6-14-5-1-2-8-17(14)18;/h1-3,5-6,8-9,15-16,21H,4,7,10-13H2,(H,22,25);1H
InChIKeyPHNZBLGRFUZZJA-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.48
Rot. Bonds4

About 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119510489) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119510489
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C20H23N3O2.ClH/c24-19-11-15(20(25)22-12-16-7-4-10-21-16)13-23(19)18-9-3-6-14-5-1-2-8-17(14)18;/h1-3,5-6,8-9,15-16,21H,4,7,10-13H2,(H,22,25);1H
InChIKeyPHNZBLGRFUZZJA-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
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1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
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CID 119430135
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CID 119511168
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46516740
4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230120
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
(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-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119510489) is 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PHNZBLGRFUZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c24-19-11-15(20(25)22-12-16-7-4-10-21-16)13-23(19)18-9-3-6-14-5-1-2-8-17(14)18;/h1-3,5-6,8-9,15-16,21H,4,7,10-13H2,(H,22,25);1H.
What are the key properties of 1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 2.48, 4 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-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119510489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).