N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide

C17H15BrN2O2S — CID 112822749

IUPACN-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C17H15BrN2O2S/c1-11-13(6-7-14(19-11)15-4-3-9-23-15)17(21)20(2)10-12-5-8-16(18)22-12/h3-9H,10H2,1-2H3
InChIKeyVOVVFTKELSGYDC-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.75
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide

N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 112822749) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID112822749
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C17H15BrN2O2S/c1-11-13(6-7-14(19-11)15-4-3-9-23-15)17(21)20(2)10-12-5-8-16(18)22-12/h3-9H,10H2,1-2H3
InChIKeyVOVVFTKELSGYDC-UHFFFAOYSA-N
XLogP4.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 112822749) is N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(-c2cccs2)ccc1C(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is VOVVFTKELSGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-11-13(6-7-14(19-11)15-4-3-9-23-15)17(21)20(2)10-12-5-8-16(18)22-12/h3-9H,10H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide?
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 391.29 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 112822749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).