4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide

C14H23N5O2 — CID 76910339

IUPAC4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCN(CC(C)C(N)=NO)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H23N5O2/c1-5-19(9-10(2)13(15)17-21)11-6-7-16-12(8-11)14(20)18(3)4/h6-8,10,21H,5,9H2,1-4H3,(H2,15,17)
InChIKeyJAGYJFRPXFSWOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.99
Rot. Bonds6

About 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide

4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 76910339) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID76910339
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCN(CC(C)C(N)=NO)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H23N5O2/c1-5-19(9-10(2)13(15)17-21)11-6-7-16-12(8-11)14(20)18(3)4/h6-8,10,21H,5,9H2,1-4H3,(H2,15,17)
InChIKeyJAGYJFRPXFSWOK-UHFFFAOYSA-N
XLogP0.99
TPSA95.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
CID 54992228
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
3-[ethyl-(1-methylimidazol-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76936481
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 76982221
4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 61147660
ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62005214
N,N-dimethyl-4-propan-2-ylpyridine-2-carboxamide;ethane;propane
CID 160778205
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 77113275
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide (CID 76910339) is 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide is CCN(CC(C)C(N)=NO)c1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is JAGYJFRPXFSWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-19(9-10(2)13(15)17-21)11-6-7-16-12(8-11)14(20)18(3)4/h6-8,10,21H,5,9H2,1-4H3,(H2,15,17).
What are the key properties of 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 76910339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).