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

C21H23N3O2S — CID 68745220

IUPAC6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1ccsc1CN(C)CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C21H23N3O2S/c1-15-10-12-27-19(15)14-24(2)11-9-16-3-6-18(7-4-16)26-20-8-5-17(13-23-20)21(22)25/h3-8,10,12-13H,9,11,14H2,1-2H3,(H2,22,25)
InChIKeyZXILVXCTIYMWLN-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.02
Rot. Bonds8

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

6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68745220) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68745220
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1ccsc1CN(C)CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C21H23N3O2S/c1-15-10-12-27-19(15)14-24(2)11-9-16-3-6-18(7-4-16)26-20-8-5-17(13-23-20)21(22)25/h3-8,10,12-13H,9,11,14H2,1-2H3,(H2,22,25)
InChIKeyZXILVXCTIYMWLN-UHFFFAOYSA-N
XLogP4.02
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746496
6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750318
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
6-[4-[2-[cyclopentyl(propyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 91471625
CID 158977644
CID 158977644
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 65056095

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 68745220) is 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide is Cc1ccsc1CN(C)CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is ZXILVXCTIYMWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-10-12-27-19(15)14-24(2)11-9-16-3-6-18(7-4-16)26-20-8-5-17(13-23-20)21(22)25/h3-8,10,12-13H,9,11,14H2,1-2H3,(H2,22,25).
What are the key properties of 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68745220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).