3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C18H18FN3O2S — CID 72713422

IUPAC3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1
InChIInChI=1S/C18H18FN3O2S/c1-9-6-10(2)22-18-14(9)15(20)16(25-18)17(23)21-8-11-4-5-12(24-3)7-13(11)19/h4-7H,8,20H2,1-3H3,(H,21,23)
InChIKeyJOPSQDQFGNRVMB-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.57
Rot. Bonds4

About 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 72713422) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID72713422
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1
InChIInChI=1S/C18H18FN3O2S/c1-9-6-10(2)22-18-14(9)15(20)16(25-18)17(23)21-8-11-4-5-12(24-3)7-13(11)19/h4-7H,8,20H2,1-3H3,(H,21,23)
InChIKeyJOPSQDQFGNRVMB-UHFFFAOYSA-N
XLogP3.57
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 72713881
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 17436057
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 177433907
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908746
3-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 106198132
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 72713422) is 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1.
What is the InChIKey of 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JOPSQDQFGNRVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-9-6-10(2)22-18-14(9)15(20)16(25-18)17(23)21-8-11-4-5-12(24-3)7-13(11)19/h4-7H,8,20H2,1-3H3,(H,21,23).
What are the key properties of 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 72713422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).