N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide

C13H14N2OS — CID 18107239

IUPACN-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
SMILESCc1cccc(NC(=O)CCc2ccsc2)n1
InChIInChI=1S/C13H14N2OS/c1-10-3-2-4-12(14-10)15-13(16)6-5-11-7-8-17-9-11/h2-4,7-9H,5-6H2,1H3,(H,14,15,16)
InChIKeyCYVSOATVUJNGKX-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.02
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide

N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide (PubChem CID 18107239) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
PubChem CID18107239
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
SMILESCc1cccc(NC(=O)CCc2ccsc2)n1
InChIInChI=1S/C13H14N2OS/c1-10-3-2-4-12(14-10)15-13(16)6-5-11-7-8-17-9-11/h2-4,7-9H,5-6H2,1H3,(H,14,15,16)
InChIKeyCYVSOATVUJNGKX-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide
CID 97230843
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 17455509
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide (CID 18107239) is N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide is Cc1cccc(NC(=O)CCc2ccsc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide?
The InChIKey is CYVSOATVUJNGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-3-2-4-12(14-10)15-13(16)6-5-11-7-8-17-9-11/h2-4,7-9H,5-6H2,1H3,(H,14,15,16).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide?
N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide has a molecular weight of 246.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 18107239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).