6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

C20H21N3O2S — CID 68746496

IUPAC6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1ccsc1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-9-11-26-18(14)13-22-10-8-15-2-5-17(6-3-15)25-19-7-4-16(12-23-19)20(21)24/h2-7,9,11-12,22H,8,10,13H2,1H3,(H2,21,24)
InChIKeyMGCNYVCAUXXFLV-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.68
Rot. Bonds8

About 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68746496) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68746496
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1ccsc1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-9-11-26-18(14)13-22-10-8-15-2-5-17(6-3-15)25-19-7-4-16(12-23-19)20(21)24/h2-7,9,11-12,22H,8,10,13H2,1H3,(H2,21,24)
InChIKeyMGCNYVCAUXXFLV-UHFFFAOYSA-N
XLogP3.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68745220
6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730004
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (CID 68746496) is 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is Cc1ccsc1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is MGCNYVCAUXXFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-9-11-26-18(14)13-22-10-8-15-2-5-17(6-3-15)25-19-7-4-16(12-23-19)20(21)24/h2-7,9,11-12,22H,8,10,13H2,1H3,(H2,21,24).
What are the key properties of 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68746496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).