2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide

C20H22N4OS — CID 110222089

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
SMILESCN(CC(=O)NC(Cc1ccsc1)c1cccnc1)Cc1cccnc1
InChIInChI=1S/C20H22N4OS/c1-24(13-17-4-2-7-21-11-17)14-20(25)23-19(10-16-6-9-26-15-16)18-5-3-8-22-12-18/h2-9,11-12,15,19H,10,13-14H2,1H3,(H,23,25)
InChIKeyDAOMWNKYZKDNAW-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.07
Rot. Bonds8

About 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide

2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 110222089) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID110222089
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
SMILESCN(CC(=O)NC(Cc1ccsc1)c1cccnc1)Cc1cccnc1
InChIInChI=1S/C20H22N4OS/c1-24(13-17-4-2-7-21-11-17)14-20(25)23-19(10-16-6-9-26-15-16)18-5-3-8-22-12-18/h2-9,11-12,15,19H,10,13-14H2,1H3,(H,23,25)
InChIKeyDAOMWNKYZKDNAW-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide (CID 110222089) is 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide is CN(CC(=O)NC(Cc1ccsc1)c1cccnc1)Cc1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is DAOMWNKYZKDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24(13-17-4-2-7-21-11-17)14-20(25)23-19(10-16-6-9-26-15-16)18-5-3-8-22-12-18/h2-9,11-12,15,19H,10,13-14H2,1H3,(H,23,25).
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 110222089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).