3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide

C12H18N4O2 — CID 76920821

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCc1ccncc1)C(N)=NO
InChIInChI=1S/C12H18N4O2/c1-12(2,10(13)16-18)11(17)15-8-5-9-3-6-14-7-4-9/h3-4,6-7,18H,5,8H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyGKTJJFOMDIEKMF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds5

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 76920821) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID76920821
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCc1ccncc1)C(N)=NO
InChIInChI=1S/C12H18N4O2/c1-12(2,10(13)16-18)11(17)15-8-5-9-3-6-14-7-4-9/h3-4,6-7,18H,5,8H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyGKTJJFOMDIEKMF-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
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

2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 76920376
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63241744
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963657
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009
N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960203
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide (CID 76920821) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide is CC(C)(C(=O)NCCc1ccncc1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is GKTJJFOMDIEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,10(13)16-18)11(17)15-8-5-9-3-6-14-7-4-9/h3-4,6-7,18H,5,8H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 76920821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).