N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide

C10H11BrClN3O2 — CID 115664789

IUPACN-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H11BrClN3O2/c1-5(2-8(13)16)15-10(17)7-3-6(11)4-14-9(7)12/h3-5H,2H2,1H3,(H2,13,16)(H,15,17)
InChIKeyIRCFIGWERIMDGK-UHFFFAOYSA-N
MW320.57 g/mol
LogP1.49
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide

N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide (PubChem CID 115664789) has the molecular formula C10H11BrClN3O2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
PubChem CID115664789
Molecular FormulaC10H11BrClN3O2
Molecular Weight320.57 g/mol
Exact Mass318.97
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H11BrClN3O2/c1-5(2-8(13)16)15-10(17)7-3-6(11)4-14-9(7)12/h3-5H,2H2,1H3,(H2,13,16)(H,15,17)
InChIKeyIRCFIGWERIMDGK-UHFFFAOYSA-N
XLogP1.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide
CID 114046062
(2S,3R)-2-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037234
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62000473
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000658
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 62000639

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide (CID 115664789) is N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide is CC(CC(N)=O)NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The InChIKey is IRCFIGWERIMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O2/c1-5(2-8(13)16)15-10(17)7-3-6(11)4-14-9(7)12/h3-5H,2H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide has a molecular weight of 320.57 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 115664789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).