3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide

C12H17BrN4O2 — CID 107525349

IUPAC3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ncccc1Br)/C(N)=N/O
InChIInChI=1S/C12H17BrN4O2/c1-3-12(4-2,11(14)17-19)16-10(18)9-8(13)6-5-7-15-9/h5-7,19H,3-4H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyWYRYMAKUCFRRLL-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.88
Rot. Bonds5

About 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide

3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide (PubChem CID 107525349) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide
PubChem CID107525349
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ncccc1Br)/C(N)=N/O
InChIInChI=1S/C12H17BrN4O2/c1-3-12(4-2,11(14)17-19)16-10(18)9-8(13)6-5-7-15-9/h5-7,19H,3-4H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyWYRYMAKUCFRRLL-UHFFFAOYSA-N
XLogP1.88
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940182
5-bromo-N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]thiophene-3-carboxamide
CID 114021716
3-bromo-4-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]benzamide
CID 107956471
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107517143
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide (CID 107525349) is 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ncccc1Br)/C(N)=N/O.
What is the InChIKey of 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is WYRYMAKUCFRRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-3-12(4-2,11(14)17-19)16-10(18)9-8(13)6-5-7-15-9/h5-7,19H,3-4H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide?
3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 107525349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).