N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide

C10H11BrClN3O2 — CID 62000658

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc(Br)cnc1Cl)C(N)=O
InChIInChI=1S/C10H11BrClN3O2/c1-10(2,9(13)17)15-8(16)6-3-5(11)4-14-7(6)12/h3-4H,1-2H3,(H2,13,17)(H,15,16)
InChIKeyHAKKZNXIELYQTO-UHFFFAOYSA-N
MW320.57 g/mol
LogP1.49
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide (PubChem CID 62000658) has the molecular formula C10H11BrClN3O2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
PubChem CID62000658
Molecular FormulaC10H11BrClN3O2
Molecular Weight320.57 g/mol
Exact Mass318.97
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc(Br)cnc1Cl)C(N)=O
InChIInChI=1S/C10H11BrClN3O2/c1-10(2,9(13)17)15-8(16)6-3-5(11)4-14-7(6)12/h3-4H,1-2H3,(H2,13,17)(H,15,16)
InChIKeyHAKKZNXIELYQTO-UHFFFAOYSA-N
XLogP1.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide (CID 62000658) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide is CC(C)(NC(=O)c1cc(Br)cnc1Cl)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The InChIKey is HAKKZNXIELYQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O2/c1-10(2,9(13)17)15-8(16)6-3-5(11)4-14-7(6)12/h3-4H,1-2H3,(H2,13,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide has a molecular weight of 320.57 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 62000658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).