2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide

C21H23N3O3S — CID 91131694

IUPAC2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)c(N)n1
InChIInChI=1S/C21H23N3O3S/c1-27-11-3-6-15-9-10-17(20(22)23-15)21(26)24-19(18-8-4-12-28-18)14-5-2-7-16(25)13-14/h2,4-5,7-10,12-13,19,25H,3,6,11H2,1H3,(H2,22,23)(H,24,26)
InChIKeyVTBKGUGPGGVALN-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.53
Rot. Bonds8

About 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide

2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 91131694) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID91131694
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)c(N)n1
InChIInChI=1S/C21H23N3O3S/c1-27-11-3-6-15-9-10-17(20(22)23-15)21(26)24-19(18-8-4-12-28-18)14-5-2-7-16(25)13-14/h2,4-5,7-10,12-13,19,25H,3,6,11H2,1H3,(H2,22,23)(H,24,26)
InChIKeyVTBKGUGPGGVALN-UHFFFAOYSA-N
XLogP3.53
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide
CID 91396947
2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 90849314
N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
CID 90889181
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 91388168
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide (CID 91131694) is 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide is COCCCc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)c(N)n1.
What is the InChIKey of 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is VTBKGUGPGGVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-27-11-3-6-15-9-10-17(20(22)23-15)21(26)24-19(18-8-4-12-28-18)14-5-2-7-16(25)13-14/h2,4-5,7-10,12-13,19,25H,3,6,11H2,1H3,(H2,22,23)(H,24,26).
What are the key properties of 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide?
2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 91131694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).