5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide

C10H13BrN2OS — CID 115636073

IUPAC5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
SMILESCSCC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2OS/c1-7(6-15-2)13-10(14)8-3-9(11)5-12-4-8/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyIAJUXDDXYNDYEO-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.33
Rot. Bonds4

About 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide

5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 115636073) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
PubChem CID115636073
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
SMILESCSCC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2OS/c1-7(6-15-2)13-10(14)8-3-9(11)5-12-4-8/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyIAJUXDDXYNDYEO-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
2-[(5-bromopyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 3136476
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 97030221
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide (CID 115636073) is 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide is CSCC(C)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is IAJUXDDXYNDYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-7(6-15-2)13-10(14)8-3-9(11)5-12-4-8/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 289.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115636073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).