5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide

C11H9BrN4OS — CID 114409719

IUPAC5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C11H9BrN4OS/c12-6-1-4-9(15-5-6)18-11-7(13)2-3-8(16-11)10(14)17/h1-5H,13H2,(H2,14,17)
InChIKeyRRPDNTLSERWWQO-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.07
Rot. Bonds3

About 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide

5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide (PubChem CID 114409719) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide
PubChem CID114409719
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C11H9BrN4OS/c12-6-1-4-9(15-5-6)18-11-7(13)2-3-8(16-11)10(14)17/h1-5H,13H2,(H2,14,17)
InChIKeyRRPDNTLSERWWQO-UHFFFAOYSA-N
XLogP2.07
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 114409315
1-[2-amino-5-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanone
CID 113433119
4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine
CID 80890706
5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
CID 114409591
5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
CID 114409781
5-amino-6-benzylsulfanylpyridine-2-carboxamide
CID 114409310
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
CID 83270139
4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 62112804
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
S-(5-bromo-2-pyridinyl)thiohydroxylamine
CID 177140372
2-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]-3-fluorobenzoic acid
CID 83206945
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide (CID 114409719) is 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide is NC(=O)c1ccc(N)c(Sc2ccc(Br)cn2)n1.
What is the InChIKey of 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide?
The InChIKey is RRPDNTLSERWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c12-6-1-4-9(15-5-6)18-11-7(13)2-3-8(16-11)10(14)17/h1-5H,13H2,(H2,14,17).
What are the key properties of 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide?
5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide has a molecular weight of 325.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 114409719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).