N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide

C18H16N2O2S — CID 91127202

IUPACN-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)cn1
InChIInChI=1S/C18H16N2O2S/c1-12-7-8-14(11-19-12)18(22)20-17(16-6-3-9-23-16)13-4-2-5-15(21)10-13/h2-11,17,21H,1H3,(H,20,22)
InChIKeyVMNPZWBUBPZBOX-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.68
Rot. Bonds4

About N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide

N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide (PubChem CID 91127202) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide
PubChem CID91127202
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)cn1
InChIInChI=1S/C18H16N2O2S/c1-12-7-8-14(11-19-12)18(22)20-17(16-6-3-9-23-16)13-4-2-5-15(21)10-13/h2-11,17,21H,1H3,(H,20,22)
InChIKeyVMNPZWBUBPZBOX-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide (CID 91127202) is N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)cn1.
What is the InChIKey of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is VMNPZWBUBPZBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-7-8-14(11-19-12)18(22)20-17(16-6-3-9-23-16)13-4-2-5-15(21)10-13/h2-11,17,21H,1H3,(H,20,22).
What are the key properties of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide?
N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 91127202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).