N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

C17H16N2O3S2 — CID 71804631

IUPACN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2ccc(C(O)c3cccs3)s2)c1=O
InChIInChI=1S/C17H16N2O3S2/c1-19-8-2-4-12(17(19)22)16(21)18-10-11-6-7-14(24-11)15(20)13-5-3-9-23-13/h2-9,15,20H,10H2,1H3,(H,18,21)
InChIKeyFCRWEZXLZXTLIX-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.52
Rot. Bonds5

About N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71804631) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71804631
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2ccc(C(O)c3cccs3)s2)c1=O
InChIInChI=1S/C17H16N2O3S2/c1-19-8-2-4-12(17(19)22)16(21)18-10-11-6-7-14(24-11)15(20)13-5-3-9-23-13/h2-9,15,20H,10H2,1H3,(H,18,21)
InChIKeyFCRWEZXLZXTLIX-UHFFFAOYSA-N
XLogP2.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 71804631) is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCc2ccc(C(O)c3cccs3)s2)c1=O.
What is the InChIKey of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FCRWEZXLZXTLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-19-8-2-4-12(17(19)22)16(21)18-10-11-6-7-14(24-11)15(20)13-5-3-9-23-13/h2-9,15,20H,10H2,1H3,(H,18,21).
What are the key properties of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71804631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).