5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide

C13H13BrN2O2 — CID 97030221

IUPAC5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](Cc1ccoc1)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-9(4-10-2-3-18-8-10)16-13(17)11-5-12(14)7-15-6-11/h2-3,5-9H,4H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyGLFOBKHTXLXGSK-SECBINFHSA-N
MW309.16 g/mol
LogP2.80
Rot. Bonds4

About 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide

5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 97030221) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
PubChem CID97030221
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](Cc1ccoc1)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-9(4-10-2-3-18-8-10)16-13(17)11-5-12(14)7-15-6-11/h2-3,5-9H,4H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyGLFOBKHTXLXGSK-SECBINFHSA-N
XLogP2.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
N-[1-(4-bromophenyl)propan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63860266
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
CID 99873162
N-[1-(furan-3-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 121126955
3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
CID 99874043
8-bromo-N-[1-(furan-3-yl)propan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 166355718
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide (CID 97030221) is 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide is C[C@H](Cc1ccoc1)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is GLFOBKHTXLXGSK-SECBINFHSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-9(4-10-2-3-18-8-10)16-13(17)11-5-12(14)7-15-6-11/h2-3,5-9H,4H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide?
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97030221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).