6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

C18H17N3O2S — CID 91630677

IUPAC6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cn1
InChIInChI=1S/C18H17N3O2S/c1-2-23-17-6-5-14(12-20-17)18(22)21-10-13-8-15(11-19-9-13)16-4-3-7-24-16/h3-9,11-12H,2,10H2,1H3,(H,21,22)
InChIKeyBLPZCWFTXAJAPK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.53
Rot. Bonds6

About 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 91630677) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID91630677
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cn1
InChIInChI=1S/C18H17N3O2S/c1-2-23-17-6-5-14(12-20-17)18(22)21-10-13-8-15(11-19-9-13)16-4-3-7-24-16/h3-9,11-12H,2,10H2,1H3,(H,21,22)
InChIKeyBLPZCWFTXAJAPK-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 91630677) is 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cn1.
What is the InChIKey of 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is BLPZCWFTXAJAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-23-17-6-5-14(12-20-17)18(22)21-10-13-8-15(11-19-9-13)16-4-3-7-24-16/h3-9,11-12H,2,10H2,1H3,(H,21,22).
What are the key properties of 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91630677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).