3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

C21H24BrN3O3 — CID 167895695

IUPAC3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CC(=O)N(CCN2CCOCC2)C1)c1cc(Br)cc2ccccc12
InChIInChI=1S/C21H24BrN3O3/c22-16-11-15-3-1-2-4-18(15)19(12-16)21(27)23-17-13-20(26)25(14-17)6-5-24-7-9-28-10-8-24/h1-4,11-12,17H,5-10,13-14H2,(H,23,27)
InChIKeyQESPXNBOTIPZKP-UHFFFAOYSA-N
MW446.35 g/mol
LogP2.27
Rot. Bonds5

About 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167895695) has the molecular formula C21H24BrN3O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167895695
Molecular FormulaC21H24BrN3O3
Molecular Weight446.35 g/mol
Exact Mass445.10
IUPAC Name3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CC(=O)N(CCN2CCOCC2)C1)c1cc(Br)cc2ccccc12
InChIInChI=1S/C21H24BrN3O3/c22-16-11-15-3-1-2-4-18(15)19(12-16)21(27)23-17-13-20(26)25(14-17)6-5-24-7-9-28-10-8-24/h1-4,11-12,17H,5-10,13-14H2,(H,23,27)
InChIKeyQESPXNBOTIPZKP-UHFFFAOYSA-N
XLogP2.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167976644
N-(1-benzyl-5-oxopyrrolidin-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72905508
3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 132972010
5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 124609380
2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119890308
5-methoxy-1-methyl-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-4-oxopyridine-2-carboxamide
CID 166268176
6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167792952
2-(cyclopropylmethylamino)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119890296
1-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119890286
2-morpholin-4-yl-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 95476963
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890331
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167895695) is 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is O=C(NC1CC(=O)N(CCN2CCOCC2)C1)c1cc(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is QESPXNBOTIPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O3/c22-16-11-15-3-1-2-4-18(15)19(12-16)21(27)23-17-13-20(26)25(14-17)6-5-24-7-9-28-10-8-24/h1-4,11-12,17H,5-10,13-14H2,(H,23,27).
What are the key properties of 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 446.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).