5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane

C23H30BrN7O2 — CID 143962309

IUPAC5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane
SMILESCC.Cc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N(N)/C=C(\N)c1cncc(Br)c1
InChIInChI=1S/C21H24BrN7O2.C2H6/c1-12-17(29(24)11-16(23)13-5-15(22)10-25-8-13)6-14(9-26-12)20(30)27-19-7-18(31-28-19)21(2,3)4;1-2/h5-11H,23-24H2,1-4H3,(H,27,28,30);1-2H3/b16-11-;
InChIKeyBWGQISMBVKOMJD-MWVRIADDSA-N
MW516.44 g/mol
LogP4.75
Rot. Bonds5

About 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane

5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane (PubChem CID 143962309) has the molecular formula C23H30BrN7O2 and a molecular weight of 516.44 g/mol. Its IUPAC name is 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane
PubChem CID143962309
Molecular FormulaC23H30BrN7O2
Molecular Weight516.44 g/mol
Exact Mass515.16
IUPAC Name5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane
SMILESCC.Cc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N(N)/C=C(\N)c1cncc(Br)c1
InChIInChI=1S/C21H24BrN7O2.C2H6/c1-12-17(29(24)11-16(23)13-5-15(22)10-25-8-13)6-14(9-26-12)20(30)27-19-7-18(31-28-19)21(2,3)4;1-2/h5-11H,23-24H2,1-4H3,(H,27,28,30);1-2H3/b16-11-;
InChIKeyBWGQISMBVKOMJD-MWVRIADDSA-N
XLogP4.75
TPSA136.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.44
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane with MolForge

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Related Compounds

5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide
CID 90335010
5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-2-ium-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide
CID 163996315
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide
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(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
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CID 45256459
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
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CID 115669424
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]triazol-1-yl]-6-methylpyridine-3-carboxamide
CID 58563259
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane?
The IUPAC name of 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane (CID 143962309) is 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane.
What is the SMILES notation for 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane?
The canonical SMILES for 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane is CC.Cc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N(N)/C=C(\N)c1cncc(Br)c1.
What is the InChIKey of 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane?
The InChIKey is BWGQISMBVKOMJD-MWVRIADDSA-N. The full InChI is InChI=1S/C21H24BrN7O2.C2H6/c1-12-17(29(24)11-16(23)13-5-15(22)10-25-8-13)6-14(9-26-12)20(30)27-19-7-18(31-28-19)21(2,3)4;1-2/h5-11H,23-24H2,1-4H3,(H,27,28,30);1-2H3/b16-11-;.
What are the key properties of 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane?
5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane has a molecular weight of 516.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 143962309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).