N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide

C15H18N2OS — CID 86932688

IUPACN-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESCN(Cc1cccnc1)C(=O)CCCc1cccs1
InChIInChI=1S/C15H18N2OS/c1-17(12-13-5-3-9-16-11-13)15(18)8-2-6-14-7-4-10-19-14/h3-5,7,9-11H,2,6,8,12H2,1H3
InChIKeyBIDZOPJQERGLRL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide

N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide (PubChem CID 86932688) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
PubChem CID86932688
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESCN(Cc1cccnc1)C(=O)CCCc1cccs1
InChIInChI=1S/C15H18N2OS/c1-17(12-13-5-3-9-16-11-13)15(18)8-2-6-14-7-4-10-19-14/h3-5,7,9-11H,2,6,8,12H2,1H3
InChIKeyBIDZOPJQERGLRL-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134037051
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 87010762
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-ol
CID 105125071
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide (CID 86932688) is N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide is CN(Cc1cccnc1)C(=O)CCCc1cccs1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is BIDZOPJQERGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(12-13-5-3-9-16-11-13)15(18)8-2-6-14-7-4-10-19-14/h3-5,7,9-11H,2,6,8,12H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 274.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 86932688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).