6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C16H15N3O2S — CID 110128983

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1noc(C)c1-c1cccc(C(=O)NCc2cccs2)n1
InChIInChI=1S/C16H15N3O2S/c1-10-15(11(2)21-19-10)13-6-3-7-14(18-13)16(20)17-9-12-5-4-8-22-12/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyYVFUTMLBIQINPI-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.34
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 110128983) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID110128983
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1noc(C)c1-c1cccc(C(=O)NCc2cccs2)n1
InChIInChI=1S/C16H15N3O2S/c1-10-15(11(2)21-19-10)13-6-3-7-14(18-13)16(20)17-9-12-5-4-8-22-12/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyYVFUTMLBIQINPI-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46093867
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
CID 30662522
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53195229
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
2-(1-aminoethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3832023

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 110128983) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is Cc1noc(C)c1-c1cccc(C(=O)NCc2cccs2)n1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YVFUTMLBIQINPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-15(11(2)21-19-10)13-6-3-7-14(18-13)16(20)17-9-12-5-4-8-22-12/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 110128983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).