2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide

C19H20N4OS — CID 142792019

IUPAC2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCc1ccsc1C(C(N)=O)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C19H20N4OS/c1-14-6-10-25-18(14)17(19(20)24)23(12-15-4-8-21-9-5-15)13-16-3-2-7-22-11-16/h2-11,17H,12-13H2,1H3,(H2,20,24)
InChIKeyHAGDFELIGUDKJN-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.08
Rot. Bonds7

About 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide

2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 142792019) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID142792019
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCc1ccsc1C(C(N)=O)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C19H20N4OS/c1-14-6-10-25-18(14)17(19(20)24)23(12-15-4-8-21-9-5-15)13-16-3-2-7-22-11-16/h2-11,17H,12-13H2,1H3,(H2,20,24)
InChIKeyHAGDFELIGUDKJN-UHFFFAOYSA-N
XLogP3.08
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142791990
1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
CID 142791812
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 160892074
2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56789486
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777
1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 119060069

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide (CID 142792019) is 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide is Cc1ccsc1C(C(N)=O)N(Cc1ccncc1)Cc1cccnc1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is HAGDFELIGUDKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-14-6-10-25-18(14)17(19(20)24)23(12-15-4-8-21-9-5-15)13-16-3-2-7-22-11-16/h2-11,17H,12-13H2,1H3,(H2,20,24).
What are the key properties of 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide?
2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 142792019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).