N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide

C11H15BrN4O2 — CID 77036604

IUPACN-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
SMILESNC(CCCCNC(=O)c1ccc(Br)cn1)=NO
InChIInChI=1S/C11H15BrN4O2/c12-8-4-5-9(15-7-8)11(17)14-6-2-1-3-10(13)16-18/h4-5,7,18H,1-3,6H2,(H2,13,16)(H,14,17)
InChIKeyFJJBNDMPEYTSPK-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.49
Rot. Bonds6

About N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide

N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide (PubChem CID 77036604) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
PubChem CID77036604
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
SMILESNC(CCCCNC(=O)c1ccc(Br)cn1)=NO
InChIInChI=1S/C11H15BrN4O2/c12-8-4-5-9(15-7-8)11(17)14-6-2-1-3-10(13)16-18/h4-5,7,18H,1-3,6H2,(H2,13,16)(H,14,17)
InChIKeyFJJBNDMPEYTSPK-UHFFFAOYSA-N
XLogP1.49
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
CID 77036760
N-(5-amino-5-hydroxyiminopentyl)-2-bromo-4-fluorobenzamide
CID 77036778
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-2-bromo-3-methylbenzamide
CID 107983695
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide (CID 77036604) is N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide is NC(CCCCNC(=O)c1ccc(Br)cn1)=NO.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide?
The InChIKey is FJJBNDMPEYTSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c12-8-4-5-9(15-7-8)11(17)14-6-2-1-3-10(13)16-18/h4-5,7,18H,1-3,6H2,(H2,13,16)(H,14,17).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide?
N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 77036604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).