N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide

C12H18N4O2 — CID 76940182

IUPACN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCCC(C)(NC(=O)c1ncccc1C)C(N)=NO
InChIInChI=1S/C12H18N4O2/c1-4-12(3,11(13)16-18)15-10(17)9-8(2)6-5-7-14-9/h5-7,18H,4H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeySGVFXKMLOZJMJV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.03
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide (PubChem CID 76940182) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
PubChem CID76940182
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCCC(C)(NC(=O)c1ncccc1C)C(N)=NO
InChIInChI=1S/C12H18N4O2/c1-4-12(3,11(13)16-18)15-10(17)9-8(2)6-5-7-14-9/h5-7,18H,4H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeySGVFXKMLOZJMJV-UHFFFAOYSA-N
XLogP1.03
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
CID 76975271
N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide
CID 90983709
3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide
CID 107525349
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2,6-difluoro-3-methylbenzamide
CID 82815896
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide
CID 81476900
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1-methyltriazole-4-carboxamide
CID 112735696
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671954
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
CID 106689285
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
CID 79154540

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide (CID 76940182) is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide is CCC(C)(NC(=O)c1ncccc1C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide?
The InChIKey is SGVFXKMLOZJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-12(3,11(13)16-18)15-10(17)9-8(2)6-5-7-14-9/h5-7,18H,4H2,1-3H3,(H2,13,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 76940182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).