5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide

C18H15BrN2O3 — CID 28675294

IUPAC5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C18H15BrN2O3/c1-11-2-3-12(17-5-4-15(10-22)24-17)7-16(11)21-18(23)13-6-14(19)9-20-8-13/h2-9,22H,10H2,1H3,(H,21,23)
InChIKeySDWRVSFXKYONPC-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.16
Rot. Bonds4

About 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide

5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 28675294) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID28675294
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C18H15BrN2O3/c1-11-2-3-12(17-5-4-15(10-22)24-17)7-16(11)21-18(23)13-6-14(19)9-20-8-13/h2-9,22H,10H2,1H3,(H,21,23)
InChIKeySDWRVSFXKYONPC-UHFFFAOYSA-N
XLogP4.16
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 28671312
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28686841
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide
CID 28671110
4-chloro-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28687208
5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122283713

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide (CID 28675294) is 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide is Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is SDWRVSFXKYONPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-11-2-3-12(17-5-4-15(10-22)24-17)7-16(11)21-18(23)13-6-14(19)9-20-8-13/h2-9,22H,10H2,1H3,(H,21,23).
What are the key properties of 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 28675294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).