N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride

C14H21BrClN3O3 — CID 120810050

IUPACN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(CC(=O)N1CCC(C)(CN)C1)C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C14H20BrN3O3.ClH/c1-14(8-16)5-6-18(9-14)12(19)7-17(2)13(20)10-3-4-11(15)21-10;/h3-4H,5-9,16H2,1-2H3;1H
InChIKeyZPGXJPKXCYZSMV-UHFFFAOYSA-N
MW394.70 g/mol
LogP1.73
Rot. Bonds4

About N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride

N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 120810050) has the molecular formula C14H21BrClN3O3 and a molecular weight of 394.70 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID120810050
Molecular FormulaC14H21BrClN3O3
Molecular Weight394.70 g/mol
Exact Mass393.05
IUPAC NameN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(CC(=O)N1CCC(C)(CN)C1)C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C14H20BrN3O3.ClH/c1-14(8-16)5-6-18(9-14)12(19)7-17(2)13(20)10-3-4-11(15)21-10;/h3-4H,5-9,16H2,1-2H3;1H
InChIKeyZPGXJPKXCYZSMV-UHFFFAOYSA-N
XLogP1.73
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119483359
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119409324
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 86823045
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119377242
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119564929
5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119644278
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-ethylphenyl)ethanone
CID 120808109
2-[1-[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178133
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride
CID 120806812
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 120810189
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 120807583
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 120808692

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride (CID 120810050) is N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride is CN(CC(=O)N1CCC(C)(CN)C1)C(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is ZPGXJPKXCYZSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3.ClH/c1-14(8-16)5-6-18(9-14)12(19)7-17(2)13(20)10-3-4-11(15)21-10;/h3-4H,5-9,16H2,1-2H3;1H.
What are the key properties of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 394.70 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120810050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).