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

C13H19BrClN3O3 — CID 119483359

IUPACN-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(CC(=O)N1CCC(CN)C1)C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C13H18BrN3O3.ClH/c1-16(13(19)10-2-3-11(14)20-10)8-12(18)17-5-4-9(6-15)7-17;/h2-3,9H,4-8,15H2,1H3;1H
InChIKeyXAWKHGHDXZHPHO-UHFFFAOYSA-N
MW380.67 g/mol
LogP1.34
Rot. Bonds4

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

N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119483359) has the molecular formula C13H19BrClN3O3 and a molecular weight of 380.67 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID119483359
Molecular FormulaC13H19BrClN3O3
Molecular Weight380.67 g/mol
Exact Mass379.03
IUPAC NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(CC(=O)N1CCC(CN)C1)C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C13H18BrN3O3.ClH/c1-16(13(19)10-2-3-11(14)20-10)8-12(18)17-5-4-9(6-15)7-17;/h2-3,9H,4-8,15H2,1H3;1H
InChIKeyXAWKHGHDXZHPHO-UHFFFAOYSA-N
XLogP1.34
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119409324
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119377242
5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119644278
2-[1-[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178133
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 86823045
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120810050
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-bromophenyl)propan-1-one;hydrochloride
CID 119486290
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119484347
1-[3-(aminomethyl)pyrrolidin-1-yl]-5-(4-tert-butylphenyl)pentan-1-one;hydrochloride
CID 119484639
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119564929

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride (CID 119483359) is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride is CN(CC(=O)N1CCC(CN)C1)C(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is XAWKHGHDXZHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3.ClH/c1-16(13(19)10-2-3-11(14)20-10)8-12(18)17-5-4-9(6-15)7-17;/h2-3,9H,4-8,15H2,1H3;1H.
What are the key properties of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 380.67 g/mol, XLogP of 1.34, 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)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119483359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).