3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C18H16N4O2S — CID 126069710

IUPAC3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccccc3C#N)c(N)c12
InChIInChI=1S/C18H16N4O2S/c1-10-7-12(9-24-2)14-15(20)16(25-18(14)21-10)17(23)22-13-6-4-3-5-11(13)8-19/h3-7H,9,20H2,1-2H3,(H,22,23)
InChIKeyKPEUCYYNYPAXDZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.46
Rot. Bonds4

About 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 126069710) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID126069710
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccccc3C#N)c(N)c12
InChIInChI=1S/C18H16N4O2S/c1-10-7-12(9-24-2)14-15(20)16(25-18(14)21-10)17(23)22-13-6-4-3-5-11(13)8-19/h3-7H,9,20H2,1-2H3,(H,22,23)
InChIKeyKPEUCYYNYPAXDZ-UHFFFAOYSA-N
XLogP3.46
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1209422
3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1093411
2-[[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-nitrophenolate
CID 7030010
3-amino-N-(4-bromo-2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 126379375
3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 5302650
5-amino-N-(2-cyanophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515671
N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
CID 42648368
3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1045586
N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
CID 16761636
ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 5299683
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 126069710) is 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)Nc3ccccc3C#N)c(N)c12.
What is the InChIKey of 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KPEUCYYNYPAXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10-7-12(9-24-2)14-15(20)16(25-18(14)21-10)17(23)22-13-6-4-3-5-11(13)8-19/h3-7H,9,20H2,1-2H3,(H,22,23).
What are the key properties of 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 126069710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).