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

C22H23N3O2S — CID 91396947

IUPAC2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide
SMILESCC(C)=CCc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)c(N)n1
InChIInChI=1S/C22H23N3O2S/c1-14(2)8-9-16-10-11-18(21(23)24-16)22(27)25-20(19-7-4-12-28-19)15-5-3-6-17(26)13-15/h3-8,10-13,20,26H,9H2,1-2H3,(H2,23,24)(H,25,27)
InChIKeyGACQVJMHHTUXTG-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.46
Rot. Bonds6

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

2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide (PubChem CID 91396947) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide
PubChem CID91396947
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide
SMILESCC(C)=CCc1ccc(C(=O)NC(c2cccc(O)c2)c2cccs2)c(N)n1
InChIInChI=1S/C22H23N3O2S/c1-14(2)8-9-16-10-11-18(21(23)24-16)22(27)25-20(19-7-4-12-28-19)15-5-3-6-17(26)13-15/h3-8,10-13,20,26H,9H2,1-2H3,(H2,23,24)(H,25,27)
InChIKeyGACQVJMHHTUXTG-UHFFFAOYSA-N
XLogP4.46
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide
CID 91131694
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-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 91388168
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8806674
3-(dithiophen-2-ylmethyl)phenol
CID 46201100
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide (CID 91396947) is 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide is CC(C)=CCc1ccc(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-methylbut-2-enyl)pyridine-3-carboxamide?
The InChIKey is GACQVJMHHTUXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14(2)8-9-16-10-11-18(21(23)24-16)22(27)25-20(19-7-4-12-28-19)15-5-3-6-17(26)13-15/h3-8,10-13,20,26H,9H2,1-2H3,(H2,23,24)(H,25,27).
What are the key properties of 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide?
2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide is sourced from PubChem (CID 91396947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).