7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide

C17H17N3O3S — CID 163225385

IUPAC7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2nccc3cc(C(N)=O)sc23)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-4-3-11(13(8-12)23-2)9-20-17-15-10(5-6-19-17)7-14(24-15)16(18)21/h3-8H,9H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyIKAKTXLUUPQVOH-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.02
Rot. Bonds6

About 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide

7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 163225385) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID163225385
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2nccc3cc(C(N)=O)sc23)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-4-3-11(13(8-12)23-2)9-20-17-15-10(5-6-19-17)7-14(24-15)16(18)21/h3-8H,9H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyIKAKTXLUUPQVOH-UHFFFAOYSA-N
XLogP3.02
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
[7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol
CID 178138723
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
(2,4-dimethoxyphenyl)methylurea
CID 53362457
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide (CID 163225385) is 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide is COc1ccc(CNc2nccc3cc(C(N)=O)sc23)c(OC)c1.
What is the InChIKey of 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is IKAKTXLUUPQVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-12-4-3-11(13(8-12)23-2)9-20-17-15-10(5-6-19-17)7-14(24-15)16(18)21/h3-8H,9H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide?
7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 163225385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).