2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

C18H24BrN3O2S — CID 86763931

IUPAC2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCCN(CC)c1sc(Br)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C18H24BrN3O2S/c1-6-22(7-2)18-12(5)14(15(19)25-18)17(24)20-9-13-10(3)8-11(4)21-16(13)23/h8H,6-7,9H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyFOOXUZRFPGZBNI-UHFFFAOYSA-N
MW426.38 g/mol
LogP3.90
Rot. Bonds6

About 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 86763931) has the molecular formula C18H24BrN3O2S and a molecular weight of 426.38 g/mol. Its IUPAC name is 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID86763931
Molecular FormulaC18H24BrN3O2S
Molecular Weight426.38 g/mol
Exact Mass425.08
IUPAC Name2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCCN(CC)c1sc(Br)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C18H24BrN3O2S/c1-6-22(7-2)18-12(5)14(15(19)25-18)17(24)20-9-13-10(3)8-11(4)21-16(13)23/h8H,6-7,9H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyFOOXUZRFPGZBNI-UHFFFAOYSA-N
XLogP3.90
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 86763931) is 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is CCN(CC)c1sc(Br)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
What is the InChIKey of 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is FOOXUZRFPGZBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2S/c1-6-22(7-2)18-12(5)14(15(19)25-18)17(24)20-9-13-10(3)8-11(4)21-16(13)23/h8H,6-7,9H2,1-5H3,(H,20,24)(H,21,23).
What are the key properties of 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 426.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 86763931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).