5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide

C13H13ClN2O2S — CID 53185009

IUPAC5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-16(13(17)10-5-6-11(14)19-10)8-9-4-3-7-15-12(9)18-2/h3-7H,8H2,1-2H3
InChIKeyPTPGSTHPSDKZKJ-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.08
Rot. Bonds4

About 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide

5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 53185009) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID53185009
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-16(13(17)10-5-6-11(14)19-10)8-9-4-3-7-15-12(9)18-2/h3-7H,8H2,1-2H3
InChIKeyPTPGSTHPSDKZKJ-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide (CID 53185009) is 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide is COc1ncccc1CN(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PTPGSTHPSDKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-16(13(17)10-5-6-11(14)19-10)8-9-4-3-7-15-12(9)18-2/h3-7H,8H2,1-2H3.
What are the key properties of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide?
5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 53185009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).