2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide

C18H18N2O2 — CID 90579264

IUPAC2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
SMILESCc1ccc(OCC#CCNC(=O)c2ccccc2C)cn1
InChIInChI=1S/C18H18N2O2/c1-14-7-3-4-8-17(14)18(21)19-11-5-6-12-22-16-10-9-15(2)20-13-16/h3-4,7-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyAXPSLUFFTSBDCN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide

2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide (PubChem CID 90579264) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
PubChem CID90579264
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
SMILESCc1ccc(OCC#CCNC(=O)c2ccccc2C)cn1
InChIInChI=1S/C18H18N2O2/c1-14-7-3-4-8-17(14)18(21)19-11-5-6-12-22-16-10-9-15(2)20-13-16/h3-4,7-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyAXPSLUFFTSBDCN-UHFFFAOYSA-N
XLogP2.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
CID 90579339
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
CID 90579362
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
CID 90579189
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-phenylpropanamide
CID 90579351
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90579313
2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579328
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-4-nitrobenzamide
CID 90579304
2-methylsulfanyl-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578973
2-(1,2-benzoxazol-3-yl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579211
1-(3-chlorophenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579458
1-(2,3-dimethoxyphenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579478
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide (CID 90579264) is 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide is Cc1ccc(OCC#CCNC(=O)c2ccccc2C)cn1.
What is the InChIKey of 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
The InChIKey is AXPSLUFFTSBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-7-3-4-8-17(14)18(21)19-11-5-6-12-22-16-10-9-15(2)20-13-16/h3-4,7-10,13H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide is sourced from PubChem (CID 90579264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).