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

C18H18N2O2 — CID 90579339

IUPACN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
SMILESCc1ccc(OCC#CCNC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H18N2O2/c1-15-9-10-17(14-20-15)22-12-6-5-11-19-18(21)13-16-7-3-2-4-8-16/h2-4,7-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyXNLGXHMQXJXXBB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.13
Rot. Bonds5

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

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide (PubChem CID 90579339) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
PubChem CID90579339
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
SMILESCc1ccc(OCC#CCNC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H18N2O2/c1-15-9-10-17(14-20-15)22-12-6-5-11-19-18(21)13-16-7-3-2-4-8-16/h2-4,7-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyXNLGXHMQXJXXBB-UHFFFAOYSA-N
XLogP2.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.13
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]-3-phenylpropanamide
CID 90579351
2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579264
2-(1,2-benzoxazol-3-yl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579211
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]thiophene-2-carboxamide
CID 90579362
3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579289
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]-4-nitrobenzamide
CID 90579304
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90579313
1-(3-chlorophenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579458
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
1-(2,3-dimethoxyphenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579478

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide (CID 90579339) is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide is Cc1ccc(OCC#CCNC(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide?
The InChIKey is XNLGXHMQXJXXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-15-9-10-17(14-20-15)22-12-6-5-11-19-18(21)13-16-7-3-2-4-8-16/h2-4,7-10,14H,11-13H2,1H3,(H,19,21).
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide?
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide has a molecular weight of 294.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide is sourced from PubChem (CID 90579339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).