2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

C14H16N2OS — CID 62052007

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2ccccn2)s1
InChIInChI=1S/C14H16N2OS/c1-11-6-7-14(18-11)13(17)10-16(2)9-12-5-3-4-8-15-12/h3-8H,9-10H2,1-2H3
InChIKeyHCNHKGPCXIYRDQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.77
Rot. Bonds5

About 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 62052007) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID62052007
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2ccccn2)s1
InChIInChI=1S/C14H16N2OS/c1-11-6-7-14(18-11)13(17)10-16(2)9-12-5-3-4-8-15-12/h3-8H,9-10H2,1-2H3
InChIKeyHCNHKGPCXIYRDQ-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63571803
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80733871
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 60863461
5-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 18107585
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 62052007) is 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN(C)Cc2ccccn2)s1.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is HCNHKGPCXIYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-6-7-14(18-11)13(17)10-16(2)9-12-5-3-4-8-15-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 62052007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).