N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide

C16H15N3O2S — CID 166361501

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide
SMILESCOc1cc(CN)ccc1NC(=O)c1ccnc2ccsc12
InChIInChI=1S/C16H15N3O2S/c1-21-14-8-10(9-17)2-3-12(14)19-16(20)11-4-6-18-13-5-7-22-15(11)13/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyFOHVUUAXDBQWBR-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide

N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide (PubChem CID 166361501) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide
PubChem CID166361501
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide
SMILESCOc1cc(CN)ccc1NC(=O)c1ccnc2ccsc12
InChIInChI=1S/C16H15N3O2S/c1-21-14-8-10(9-17)2-3-12(14)19-16(20)11-4-6-18-13-5-7-22-15(11)13/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyFOHVUUAXDBQWBR-UHFFFAOYSA-N
XLogP3.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
CID 104847667
N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
CID 107702112
N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide
CID 58621943
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 63724738
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
3-fluoro-N-(4-fluoro-2-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105388058
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
N-[4-(aminomethyl)-2-methoxyphenyl]azepane-1-carboxamide
CID 104848512

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide (CID 166361501) is N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide is COc1cc(CN)ccc1NC(=O)c1ccnc2ccsc12.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide?
The InChIKey is FOHVUUAXDBQWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-14-8-10(9-17)2-3-12(14)19-16(20)11-4-6-18-13-5-7-22-15(11)13/h2-8H,9,17H2,1H3,(H,19,20).
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide?
N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide is sourced from PubChem (CID 166361501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).