2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide

C20H24N4O3 — CID 143980458

IUPAC2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide
SMILESCC#CCOc1cnc(C)cn1.CNC(=O)CCc1cccc(NC=O)c1
InChIInChI=1S/C11H14N2O2.C9H10N2O/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-3-4-5-12-9-7-10-8(2)6-11-9/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);6-7H,5H2,1-2H3
InChIKeySYVRGRMVFOLTNO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.12
Rot. Bonds7

About 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide

2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide (PubChem CID 143980458) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide
PubChem CID143980458
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide
SMILESCC#CCOc1cnc(C)cn1.CNC(=O)CCc1cccc(NC=O)c1
InChIInChI=1S/C11H14N2O2.C9H10N2O/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-3-4-5-12-9-7-10-8(2)6-11-9/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);6-7H,5H2,1-2H3
InChIKeySYVRGRMVFOLTNO-UHFFFAOYSA-N
XLogP2.12
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
CID 143980464
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
2-phenylethyl N'-[[3-[(5-but-2-ynoxypyrazine-2-carbonyl)amino]phenyl]methyl]carbamimidothioate
CID 46931627
N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
CID 74234598
2-(3-but-2-ynoxyphenoxy)-N-methylacetamide
CID 75508492
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]formamide;2-(4-chlorobut-2-ynoxy)-5-methylpyrazine
CID 143980576
3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide
CID 143980499
3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-phenylpropanamide
CID 90579351
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264954

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide?
The IUPAC name of 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide (CID 143980458) is 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide.
What is the SMILES notation for 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide?
The canonical SMILES for 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide is CC#CCOc1cnc(C)cn1.CNC(=O)CCc1cccc(NC=O)c1.
What is the InChIKey of 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide?
The InChIKey is SYVRGRMVFOLTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.C9H10N2O/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-3-4-5-12-9-7-10-8(2)6-11-9/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);6-7H,5H2,1-2H3.
What are the key properties of 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide?
2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide has a molecular weight of 368.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide is sourced from PubChem (CID 143980458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).