3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C14H15ClN2O2S — CID 46999709

IUPAC3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-19-7-6-17(10-11-3-2-8-20-11)14(18)12-4-5-16-9-13(12)15/h2-5,8-9H,6-7,10H2,1H3
InChIKeyJPFIWUPWFUJHKX-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.09
Rot. Bonds6

About 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 46999709) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID46999709
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-19-7-6-17(10-11-3-2-8-20-11)14(18)12-4-5-16-9-13(12)15/h2-5,8-9H,6-7,10H2,1H3
InChIKeyJPFIWUPWFUJHKX-UHFFFAOYSA-N
XLogP3.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 46999709) is 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is COCCN(Cc1cccs1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is JPFIWUPWFUJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-7-6-17(10-11-3-2-8-20-11)14(18)12-4-5-16-9-13(12)15/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 46999709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).