N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide

C15H21N5O3 — CID 6163714

IUPACN'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide
SMILESC/C(CC(=O)NC(C)(C)C)=N/NC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C15H21N5O3/c1-10(8-12(21)18-15(2,3)4)19-20-14(23)13(22)17-11-6-5-7-16-9-11/h5-7,9H,8H2,1-4H3,(H,17,22)(H,18,21)(H,20,23)/b19-10-
InChIKeyCYXLHTFMCYKOAT-GRSHGNNSSA-N
MW319.37 g/mol
LogP0.82
Rot. Bonds4

About N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide

N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide (PubChem CID 6163714) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide
PubChem CID6163714
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide
SMILESC/C(CC(=O)NC(C)(C)C)=N/NC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C15H21N5O3/c1-10(8-12(21)18-15(2,3)4)19-20-14(23)13(22)17-11-6-5-7-16-9-11/h5-7,9H,8H2,1-4H3,(H,17,22)(H,18,21)(H,20,23)/b19-10-
InChIKeyCYXLHTFMCYKOAT-GRSHGNNSSA-N
XLogP0.82
TPSA112.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 78460789
N-(2-methoxy-5-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 15945768
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 20846970
(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
CID 6069598
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
2,4-dimethoxy-N-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide
CID 4292221
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N-[[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide
CID 3611093

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide?
The IUPAC name of N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide (CID 6163714) is N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide?
The canonical SMILES for N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide is C/C(CC(=O)NC(C)(C)C)=N/NC(=O)C(=O)Nc1cccnc1.
What is the InChIKey of N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide?
The InChIKey is CYXLHTFMCYKOAT-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10(8-12(21)18-15(2,3)4)19-20-14(23)13(22)17-11-6-5-7-16-9-11/h5-7,9H,8H2,1-4H3,(H,17,22)(H,18,21)(H,20,23)/b19-10-.
What are the key properties of N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide?
N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide has a molecular weight of 319.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide is sourced from PubChem (CID 6163714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).