4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide

C18H17BrF2N2O2 — CID 58360840

IUPAC4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(CCC2CC2)c(=O)c(F)c1Cc1ccc(Br)cc1F
InChIInChI=1S/C18H17BrF2N2O2/c19-12-4-3-11(15(20)8-12)7-13-14(17(22)24)9-23(18(25)16(13)21)6-5-10-1-2-10/h3-4,8-10H,1-2,5-7H2,(H2,22,24)
InChIKeyFQZDHLADJYZLBT-UHFFFAOYSA-N
MW411.25 g/mol
LogP3.38
Rot. Bonds6

About 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide

4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide (PubChem CID 58360840) has the molecular formula C18H17BrF2N2O2 and a molecular weight of 411.25 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide
PubChem CID58360840
Molecular FormulaC18H17BrF2N2O2
Molecular Weight411.25 g/mol
Exact Mass410.04
IUPAC Name4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(CCC2CC2)c(=O)c(F)c1Cc1ccc(Br)cc1F
InChIInChI=1S/C18H17BrF2N2O2/c19-12-4-3-11(15(20)8-12)7-13-14(17(22)24)9-23(18(25)16(13)21)6-5-10-1-2-10/h3-4,8-10H,1-2,5-7H2,(H2,22,24)
InChIKeyFQZDHLADJYZLBT-UHFFFAOYSA-N
XLogP3.38
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxylic acid
CID 58360803
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-3-fluoro-1-(2-hydroxyethyl)pyridin-2-one
CID 58360738
4-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxylic acid
CID 58360708
4-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-fluoro-5-(2-methoxyacetyl)pyridin-2-one
CID 58360770
4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide
CID 69488552
3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide
CID 142035556
4-[(4-bromo-2-fluorophenyl)methyl]-1-(cyclopropylmethyl)-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-3-methylpyridin-2-one
CID 58360705
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
CID 58360709
5-[2-(3-aminopropoxy)acetyl]-4-[(4-bromo-2-fluorophenyl)methyl]-3-fluoro-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 58360778
4-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 58259958
4-[(4-bromo-2-fluorophenyl)methyl]-3-fluoro-5-(2-propoxyacetyl)-1-(pyrazin-2-ylmethyl)pyridin-2-one
CID 58360852
[3-(2-cyclopropylethyl)azetidin-1-yl]-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]methanone
CID 58222195

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide (CID 58360840) is 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide is NC(=O)c1cn(CCC2CC2)c(=O)c(F)c1Cc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide?
The InChIKey is FQZDHLADJYZLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O2/c19-12-4-3-11(15(20)8-12)7-13-14(17(22)24)9-23(18(25)16(13)21)6-5-10-1-2-10/h3-4,8-10H,1-2,5-7H2,(H2,22,24).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide?
4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide has a molecular weight of 411.25 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 58360840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).