3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C21H20BrN3O3S — CID 102478431

IUPAC3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2sc3nc(C)c(Br)c(C)c3c2N)c2ccc(C)o2)o1
InChIInChI=1S/C21H20BrN3O3S/c1-10-5-7-14(27-10)9-25(15-8-6-11(2)28-15)21(26)19-18(23)16-12(3)17(22)13(4)24-20(16)29-19/h5-8H,9,23H2,1-4H3
InChIKeyOYXPTWCEFVEUPQ-UHFFFAOYSA-N
MW474.38 g/mol
LogP5.91
Rot. Bonds4

About 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 102478431) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID102478431
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC Name3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2sc3nc(C)c(Br)c(C)c3c2N)c2ccc(C)o2)o1
InChIInChI=1S/C21H20BrN3O3S/c1-10-5-7-14(27-10)9-25(15-8-6-11(2)28-15)21(26)19-18(23)16-12(3)17(22)13(4)24-20(16)29-19/h5-8H,9,23H2,1-4H3
InChIKeyOYXPTWCEFVEUPQ-UHFFFAOYSA-N
XLogP5.91
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.38
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-tert-butyl-4-(methoxymethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 102478428
2-ethyl-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 43044769
5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide
CID 136513753
1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 162459040
3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 177433907
4,5-dibromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 2494689
3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479810
N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31151904
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1284247
3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479809
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 102478431) is 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(CN(C(=O)c2sc3nc(C)c(Br)c(C)c3c2N)c2ccc(C)o2)o1.
What is the InChIKey of 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OYXPTWCEFVEUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-10-5-7-14(27-10)9-25(15-8-6-11(2)28-15)21(26)19-18(23)16-12(3)17(22)13(4)24-20(16)29-19/h5-8H,9,23H2,1-4H3.
What are the key properties of 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 474.38 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-4,6-dimethyl-N-(5-methylfuran-2-yl)-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 102478431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).