2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide

C20H21N3O3S — CID 66843491

IUPAC2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3sccc3C)cc2)c(N)n1
InChIInChI=1S/C20H21N3O3S/c1-13-9-10-27-20(13)26-16-6-3-14(4-7-16)11-22-19(24)17-8-5-15(12-25-2)23-18(17)21/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyHWHRBIRSNNBTIS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.90
Rot. Bonds7

About 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide

2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843491) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide
PubChem CID66843491
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3sccc3C)cc2)c(N)n1
InChIInChI=1S/C20H21N3O3S/c1-13-9-10-27-20(13)26-16-6-3-14(4-7-16)11-22-19(24)17-8-5-15(12-25-2)23-18(17)21/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyHWHRBIRSNNBTIS-UHFFFAOYSA-N
XLogP3.90
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2-amino-6-(methoxymethyl)-N-[[4-(4-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843370
2-amino-N-[[4-[2-(2,2-dimethylpropyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843441
2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 23130801
2-amino-N-[[4-(3-butylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843672
2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843992
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843400
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide (CID 66843491) is 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide is COCc1ccc(C(=O)NCc2ccc(Oc3sccc3C)cc2)c(N)n1.
What is the InChIKey of 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HWHRBIRSNNBTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-9-10-27-20(13)26-16-6-3-14(4-7-16)11-22-19(24)17-8-5-15(12-25-2)23-18(17)21/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide?
2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).