2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide

C20H19N3OS — CID 58104303

IUPAC2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide
SMILESCc1ccc(C(=S)NCc2ccc(Oc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C20H19N3OS/c1-14-7-12-18(19(21)23-14)20(25)22-13-15-8-10-17(11-9-15)24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,21,23)(H,22,25)
InChIKeyOMGYHSZRPABPQL-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.23
Rot. Bonds5

About 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide

2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide (PubChem CID 58104303) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide
PubChem CID58104303
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide
SMILESCc1ccc(C(=S)NCc2ccc(Oc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C20H19N3OS/c1-14-7-12-18(19(21)23-14)20(25)22-13-15-8-10-17(11-9-15)24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,21,23)(H,22,25)
InChIKeyOMGYHSZRPABPQL-UHFFFAOYSA-N
XLogP4.23
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine
CID 146353530
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
2-amino-N-[[4-(3-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843132
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
6-methyl-3-[(4-phenoxyphenyl)methyl]pyridin-2-amine
CID 146503850
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843895
2-amino-N-[[4-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843636
2-amino-N-[[4-[3-fluoro-5-(trifluoromethoxy)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843358
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104369

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide?
The IUPAC name of 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide (CID 58104303) is 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide.
What is the SMILES notation for 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide?
The canonical SMILES for 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide is Cc1ccc(C(=S)NCc2ccc(Oc3ccccc3)cc2)c(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide?
The InChIKey is OMGYHSZRPABPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-7-12-18(19(21)23-14)20(25)22-13-15-8-10-17(11-9-15)24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,21,23)(H,22,25).
What are the key properties of 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide?
2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide has a molecular weight of 349.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide is sourced from PubChem (CID 58104303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).