3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide

C13H12Cl2N2O2S — CID 156906224

IUPAC3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
SMILESCOCc1csc(CNC(=O)c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-19-6-8-2-10(20-7-8)5-17-13(18)12-11(15)3-9(14)4-16-12/h2-4,7H,5-6H2,1H3,(H,17,18)
InChIKeyJQPZBGAJQFXHCM-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.53
Rot. Bonds5

About 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide

3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 156906224) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
PubChem CID156906224
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
SMILESCOCc1csc(CNC(=O)c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-19-6-8-2-10(20-7-8)5-17-13(18)12-11(15)3-9(14)4-16-12/h2-4,7H,5-6H2,1H3,(H,17,18)
InChIKeyJQPZBGAJQFXHCM-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide (CID 156906224) is 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide is COCc1csc(CNC(=O)c2ncc(Cl)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is JQPZBGAJQFXHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-19-6-8-2-10(20-7-8)5-17-13(18)12-11(15)3-9(14)4-16-12/h2-4,7H,5-6H2,1H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 331.22 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-(methoxymethyl)thiophen-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 156906224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).