(E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide

C15H21N3O4 — CID 142680412

IUPAC(E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide
SMILESCOc1ccc(NC(=O)/C(C)=C/CCCCC(=O)NO)cn1
InChIInChI=1S/C15H21N3O4/c1-11(6-4-3-5-7-13(19)18-21)15(20)17-12-8-9-14(22-2)16-10-12/h6,8-10,21H,3-5,7H2,1-2H3,(H,17,20)(H,18,19)/b11-6+
InChIKeyNPZIRNSQGPVQKY-IZZDOVSWSA-N
MW307.35 g/mol
LogP2.04
Rot. Bonds8

About (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide

(E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide (PubChem CID 142680412) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide.

Molecular Properties

Compound Name(E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide
PubChem CID142680412
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide
SMILESCOc1ccc(NC(=O)/C(C)=C/CCCCC(=O)NO)cn1
InChIInChI=1S/C15H21N3O4/c1-11(6-4-3-5-7-13(19)18-21)15(20)17-12-8-9-14(22-2)16-10-12/h6,8-10,21H,3-5,7H2,1-2H3,(H,17,20)(H,18,19)/b11-6+
InChIKeyNPZIRNSQGPVQKY-IZZDOVSWSA-N
XLogP2.04
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide with MolForge

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Related Compounds

3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
CID 103230745
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
CID 43156078
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961

Frequently Asked Questions

What is the IUPAC name of (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide?
The IUPAC name of (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide (CID 142680412) is (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide.
What is the SMILES notation for (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide?
The canonical SMILES for (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide is COc1ccc(NC(=O)/C(C)=C/CCCCC(=O)NO)cn1.
What is the InChIKey of (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide?
The InChIKey is NPZIRNSQGPVQKY-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11(6-4-3-5-7-13(19)18-21)15(20)17-12-8-9-14(22-2)16-10-12/h6,8-10,21H,3-5,7H2,1-2H3,(H,17,20)(H,18,19)/b11-6+.
What are the key properties of (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide?
(E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide has a molecular weight of 307.35 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide is sourced from PubChem (CID 142680412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).