2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide

C17H15N3O2S — CID 90627965

IUPAC2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(COc1cccnc1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C17H15N3O2S/c21-17(11-22-16-2-1-4-18-10-16)20-8-13-6-15(9-19-7-13)14-3-5-23-12-14/h1-7,9-10,12H,8,11H2,(H,20,21)
InChIKeyAJCRRQAXRSTAAN-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.90
Rot. Bonds6

About 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide

2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 90627965) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID90627965
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(COc1cccnc1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C17H15N3O2S/c21-17(11-22-16-2-1-4-18-10-16)20-8-13-6-15(9-19-7-13)14-3-5-23-12-14/h1-7,9-10,12H,8,11H2,(H,20,21)
InChIKeyAJCRRQAXRSTAAN-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627889
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
2-naphthalen-2-yloxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177728
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627949
3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627902
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide (CID 90627965) is 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide is O=C(COc1cccnc1)NCc1cncc(-c2ccsc2)c1.
What is the InChIKey of 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is AJCRRQAXRSTAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-17(11-22-16-2-1-4-18-10-16)20-8-13-6-15(9-19-7-13)14-3-5-23-12-14/h1-7,9-10,12H,8,11H2,(H,20,21).
What are the key properties of 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 90627965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).