3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C22H19N3O3S — CID 118940972

IUPAC3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC
InChIInChI=1S/C22H19N3O3S/c1-27-17-11-8-14(12-18(17)28-2)24-21(26)20-19(23)15-9-10-16(25-22(15)29-20)13-6-4-3-5-7-13/h3-12H,23H2,1-2H3,(H,24,26)
InChIKeyMHNQJKGIMNBOFU-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.82
Rot. Bonds5

About 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 118940972) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID118940972
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC
InChIInChI=1S/C22H19N3O3S/c1-27-17-11-8-14(12-18(17)28-2)24-21(26)20-19(23)15-9-10-16(25-22(15)29-20)13-6-4-3-5-7-13/h3-12H,23H2,1-2H3,(H,24,26)
InChIKeyMHNQJKGIMNBOFU-UHFFFAOYSA-N
XLogP4.82
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23861199
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
3-amino-6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2011209
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
3-amino-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23774841
3-amino-N-[3-(bromomethyl)-4-methylphenyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 123642974
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 118940972) is 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC.
What is the InChIKey of 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MHNQJKGIMNBOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-17-11-8-14(12-18(17)28-2)24-21(26)20-19(23)15-9-10-16(25-22(15)29-20)13-6-4-3-5-7-13/h3-12H,23H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 118940972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).