N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide

C13H17BrN4O2 — CID 119875021

IUPACN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1CCNC1
InChIInChI=1S/C13H17BrN4O2/c1-18(13(20)9-4-5-15-6-9)8-12(19)17-11-3-2-10(14)7-16-11/h2-3,7,9,15H,4-6,8H2,1H3,(H,16,17,19)
InChIKeyJMBDEZYVVZMIGL-UHFFFAOYSA-N
MW341.21 g/mol
LogP0.85
Rot. Bonds4

About N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide

N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 119875021) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID119875021
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1CCNC1
InChIInChI=1S/C13H17BrN4O2/c1-18(13(20)9-4-5-15-6-9)8-12(19)17-11-3-2-10(14)7-16-11/h2-3,7,9,15H,4-6,8H2,1H3,(H,16,17,19)
InChIKeyJMBDEZYVVZMIGL-UHFFFAOYSA-N
XLogP0.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682947
N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 102556774
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119267757
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950
1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 119875009
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
CID 119291399
N-(5-bromo-2-pyridinyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 47131087
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide (CID 119875021) is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide is CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1CCNC1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is JMBDEZYVVZMIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-18(13(20)9-4-5-15-6-9)8-12(19)17-11-3-2-10(14)7-16-11/h2-3,7,9,15H,4-6,8H2,1H3,(H,16,17,19).
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119875021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).