N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide

C18H16BrF2N3O2 — CID 102556774

IUPACN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C18H16BrF2N3O2/c1-24(9-17(25)23-16-5-3-11(19)8-22-16)18(26)13-7-12(13)10-2-4-14(20)15(21)6-10/h2-6,8,12-13H,7,9H2,1H3,(H,22,23,25)
InChIKeyLOXNPSUETQTSFB-UHFFFAOYSA-N
MW424.25 g/mol
LogP3.32
Rot. Bonds5

About N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide

N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 102556774) has the molecular formula C18H16BrF2N3O2 and a molecular weight of 424.25 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID102556774
Molecular FormulaC18H16BrF2N3O2
Molecular Weight424.25 g/mol
Exact Mass423.04
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C18H16BrF2N3O2/c1-24(9-17(25)23-16-5-3-11(19)8-22-16)18(26)13-7-12(13)10-2-4-14(20)15(21)6-10/h2-6,8,12-13H,7,9H2,1H3,(H,22,23,25)
InChIKeyLOXNPSUETQTSFB-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 119875021
cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide
CID 95307181
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 95595198
2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 119875009
cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 42564426
2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 86794514
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 86897328
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 56549489

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 102556774) is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide is CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is LOXNPSUETQTSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2N3O2/c1-24(9-17(25)23-16-5-3-11(19)8-22-16)18(26)13-7-12(13)10-2-4-14(20)15(21)6-10/h2-6,8,12-13H,7,9H2,1H3,(H,22,23,25).
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 424.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 102556774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).