N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide

C12H18N4O2 — CID 55059953

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)CC(C)/C(N)=N/O
InChIInChI=1S/C12H18N4O2/c1-8-5-4-6-14-10(8)12(17)16(3)7-9(2)11(13)15-18/h4-6,9,18H,7H2,1-3H3,(H2,13,15)
InChIKeyCJAJKNJDQIKHPI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 55059953) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide
PubChem CID55059953
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)CC(C)/C(N)=N/O
InChIInChI=1S/C12H18N4O2/c1-8-5-4-6-14-10(8)12(17)16(3)7-9(2)11(13)15-18/h4-6,9,18H,7H2,1-3H3,(H2,13,15)
InChIKeyCJAJKNJDQIKHPI-UHFFFAOYSA-N
XLogP0.84
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide
CID 76951085
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 76941574
N-(1-aminopropan-2-yl)-N,3-dimethylpyridine-2-carboxamide
CID 82507395
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,4-dihydroxy-N-methylbenzamide
CID 107728901
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N,5-dimethylbenzamide
CID 81118021
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
CID 77057561
N-[(4-hydroxyphenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060277
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-benzyl-1-methylurea
CID 107654469
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide (CID 55059953) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide is Cc1cccnc1C(=O)N(C)CC(C)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is CJAJKNJDQIKHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-5-4-6-14-10(8)12(17)16(3)7-9(2)11(13)15-18/h4-6,9,18H,7H2,1-3H3,(H2,13,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 55059953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).