5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide

C20H14BrF2N3O4 — CID 167198230

IUPAC5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1c(Oc2ncc(Br)cc2C(=O)Nc2cccc(C(N)=O)c2)ccc(F)c1F
InChIInChI=1S/C20H14BrF2N3O4/c1-29-17-15(6-5-14(22)16(17)23)30-20-13(8-11(21)9-25-20)19(28)26-12-4-2-3-10(7-12)18(24)27/h2-9H,1H3,(H2,24,27)(H,26,28)
InChIKeyFGXOWHOPUBTCTQ-UHFFFAOYSA-N
MW478.25 g/mol
LogP4.27
Rot. Bonds6

About 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide

5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide (PubChem CID 167198230) has the molecular formula C20H14BrF2N3O4 and a molecular weight of 478.25 g/mol. Its IUPAC name is 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide
PubChem CID167198230
Molecular FormulaC20H14BrF2N3O4
Molecular Weight478.25 g/mol
Exact Mass477.01
IUPAC Name5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1c(Oc2ncc(Br)cc2C(=O)Nc2cccc(C(N)=O)c2)ccc(F)c1F
InChIInChI=1S/C20H14BrF2N3O4/c1-29-17-15(6-5-14(22)16(17)23)30-20-13(8-11(21)9-25-20)19(28)26-12-4-2-3-10(7-12)18(24)27/h2-9H,1H3,(H2,24,27)(H,26,28)
InChIKeyFGXOWHOPUBTCTQ-UHFFFAOYSA-N
XLogP4.27
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.25
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
N-(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 170556640
4-(3,4-difluoro-2-methoxyphenoxy)-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-3-carboxamide;ethane
CID 171071780
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
5-bromo-N-[(3-carbamoylphenyl)carbamothioyl]-2-propoxybenzamide
CID 26161049
4-bromo-N-(3-carbamothioylphenyl)-2-methoxybenzamide
CID 115369085
4-[[4-chloro-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-3-methylbenzoyl]amino]pyridine-2-carboxamide
CID 154645130
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
N-(4-acetyl-5-bromo-6-methoxy-3-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
CID 169249244
N-(3-carbamoylphenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137406579
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide (CID 167198230) is 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide is COc1c(Oc2ncc(Br)cc2C(=O)Nc2cccc(C(N)=O)c2)ccc(F)c1F.
What is the InChIKey of 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is FGXOWHOPUBTCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF2N3O4/c1-29-17-15(6-5-14(22)16(17)23)30-20-13(8-11(21)9-25-20)19(28)26-12-4-2-3-10(7-12)18(24)27/h2-9H,1H3,(H2,24,27)(H,26,28).
What are the key properties of 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide?
5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide has a molecular weight of 478.25 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 167198230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).