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

C10H11BrClN3O2 — CID 62000055

IUPACN-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESNC(=O)CCCNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H11BrClN3O2/c11-6-4-7(9(12)15-5-6)10(17)14-3-1-2-8(13)16/h4-5H,1-3H2,(H2,13,16)(H,14,17)
InChIKeyAGAWOCOTHYUAOA-UHFFFAOYSA-N
MW320.57 g/mol
LogP1.49
Rot. Bonds5

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

N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide (PubChem CID 62000055) has the molecular formula C10H11BrClN3O2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
PubChem CID62000055
Molecular FormulaC10H11BrClN3O2
Molecular Weight320.57 g/mol
Exact Mass318.97
IUPAC NameN-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESNC(=O)CCCNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H11BrClN3O2/c11-6-4-7(9(12)15-5-6)10(17)14-3-1-2-8(13)16/h4-5H,1-3H2,(H2,13,16)(H,14,17)
InChIKeyAGAWOCOTHYUAOA-UHFFFAOYSA-N
XLogP1.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049
5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
CID 104858028
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
CID 114194094
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000658
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide (CID 62000055) is N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide is NC(=O)CCCNC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide?
The InChIKey is AGAWOCOTHYUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O2/c11-6-4-7(9(12)15-5-6)10(17)14-3-1-2-8(13)16/h4-5H,1-3H2,(H2,13,16)(H,14,17).
What are the key properties of N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide?
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide has a molecular weight of 320.57 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 62000055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).