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

C21H26BrN3O2 — CID 167976644

IUPAC3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(CCN2CCOCC2)C1)c1cc(Br)cc2ccccc12
InChIInChI=1S/C21H26BrN3O2/c22-17-13-16-3-1-2-4-19(16)20(14-17)21(26)23-18-5-6-25(15-18)8-7-24-9-11-27-12-10-24/h1-4,13-14,18H,5-12,15H2,(H,23,26)
InChIKeyXCDKFMNOXXVDSP-UHFFFAOYSA-N
MW432.36 g/mol
LogP2.74
Rot. Bonds5

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

3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167976644) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167976644
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(CCN2CCOCC2)C1)c1cc(Br)cc2ccccc12
InChIInChI=1S/C21H26BrN3O2/c22-17-13-16-3-1-2-4-19(16)20(14-17)21(26)23-18-5-6-25(15-18)8-7-24-9-11-27-12-10-24/h1-4,13-14,18H,5-12,15H2,(H,23,26)
InChIKeyXCDKFMNOXXVDSP-UHFFFAOYSA-N
XLogP2.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167895695
6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167792952
2-hydroxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167938541
8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167943617
N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 146083594
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 94886643
5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]benzamide
CID 52941443
2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 129352911
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167976644) is 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide is O=C(NC1CCN(CCN2CCOCC2)C1)c1cc(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is XCDKFMNOXXVDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c22-17-13-16-3-1-2-4-19(16)20(14-17)21(26)23-18-5-6-25(15-18)8-7-24-9-11-27-12-10-24/h1-4,13-14,18H,5-12,15H2,(H,23,26).
What are the key properties of 3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 432.36 g/mol, XLogP of 2.74, 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)pyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167976644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).