N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide

C12H18N4O2 — CID 77072497

IUPACN-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
SMILESCCC(CC(N)=NO)NC(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N4O2/c1-3-10(5-11(13)16-18)15-12(17)9-4-8(2)6-14-7-9/h4,6-7,10,18H,3,5H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyIMTHSLKLGJFXAQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.03
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide

N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide (PubChem CID 77072497) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
PubChem CID77072497
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
SMILESCCC(CC(N)=NO)NC(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N4O2/c1-3-10(5-11(13)16-18)15-12(17)9-4-8(2)6-14-7-9/h4,6-7,10,18H,3,5H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyIMTHSLKLGJFXAQ-UHFFFAOYSA-N
XLogP1.03
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.03
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'}

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Related Compounds

N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3,4-dihydroxybenzamide
CID 107728912
N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide
CID 107940559
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671999
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 77054803
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-4-bromo-2-methylbenzamide
CID 55101444
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoro-4-methoxybenzamide
CID 76977862
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680
N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
CID 97247851

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide (CID 77072497) is N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide is CCC(CC(N)=NO)NC(=O)c1cncc(C)c1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide?
The InChIKey is IMTHSLKLGJFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-10(5-11(13)16-18)15-12(17)9-4-8(2)6-14-7-9/h4,6-7,10,18H,3,5H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide?
N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 77072497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).