(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone

C17H16N2O2S — CID 698706

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
SMILESCC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)OC)N)C
InChIInChI=1S/C17H16N2O2S/c1-9-8-10(2)19-17-13(9)14(18)16(22-17)15(20)11-4-6-12(21-3)7-5-11/h4-8H,18H2,1-3H3
InChIKeyHHOUCPXRHDFDGG-UHFFFAOYSA-N
MW312.40 g/mol
LogP4.50
Rot. Bonds3

About (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone

(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone (PubChem CID 698706) has the molecular formula C17H16N2O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
PubChem CID698706
Molecular FormulaC17H16N2O2S
Molecular Weight312.40 g/mol
Exact Mass312.09
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
SMILESCC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)OC)N)C
InChIInChI=1S/C17H16N2O2S/c1-9-8-10(2)19-17-13(9)14(18)16(22-17)15(20)11-4-6-12(21-3)7-5-11/h4-8H,18H2,1-3H3
InChIKeyHHOUCPXRHDFDGG-UHFFFAOYSA-N
XLogP4.50
TPSA93.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity411

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

VU0152100
CID 864492
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 629074
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1647025
3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2017205
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144489
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 926746
(3-Amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
CID 1005278

Frequently Asked Questions

What is the IUPAC name of (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone?
The IUPAC name of (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone (CID 698706) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone?
The canonical SMILES for (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone is CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)OC)N)C.
What is the InChIKey of (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone?
The InChIKey is HHOUCPXRHDFDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-9-8-10(2)19-17-13(9)14(18)16(22-17)15(20)11-4-6-12(21-3)7-5-11/h4-8H,18H2,1-3H3.
What are the key properties of (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone?
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone has a molecular weight of 312.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone is sourced from PubChem (CID 698706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).