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

C15H14N2O2S — CID 90579362

IUPACN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)c2cccs2)cn1
InChIInChI=1S/C15H14N2O2S/c1-12-6-7-13(11-17-12)19-9-3-2-8-16-15(18)14-5-4-10-20-14/h4-7,10-11H,8-9H2,1H3,(H,16,18)
InChIKeyRTKVRVGEUXNSMP-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.26
Rot. Bonds4

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

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide (PubChem CID 90579362) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
PubChem CID90579362
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)c2cccs2)cn1
InChIInChI=1S/C15H14N2O2S/c1-12-6-7-13(11-17-12)19-9-3-2-8-16-15(18)14-5-4-10-20-14/h4-7,10-11H,8-9H2,1H3,(H,16,18)
InChIKeyRTKVRVGEUXNSMP-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579264
3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579289
1-(3-chlorophenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579458
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
4-cyano-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90579015
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 53148145
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46492094
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110320093
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide (CID 90579362) is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide is Cc1ccc(OCC#CCNC(=O)c2cccs2)cn1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide?
The InChIKey is RTKVRVGEUXNSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-12-6-7-13(11-17-12)19-9-3-2-8-16-15(18)14-5-4-10-20-14/h4-7,10-11H,8-9H2,1H3,(H,16,18).
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide?
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide is sourced from PubChem (CID 90579362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).