N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide

C14H14N2OS — CID 103598251

IUPACN-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(CNC(=O)C=Cc2cccs2)n1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-5-12(16-11)10-15-14(17)8-7-13-6-3-9-18-13/h2-9H,10H2,1H3,(H,15,17)
InChIKeyYFEURJVENNFDEO-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.78
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide

N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 103598251) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID103598251
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(CNC(=O)C=Cc2cccs2)n1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-5-12(16-11)10-15-14(17)8-7-13-6-3-9-18-13/h2-9H,10H2,1H3,(H,15,17)
InChIKeyYFEURJVENNFDEO-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
(E)-3-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 115343943
N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 171136538
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
(E)-3-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 86820691
N-[(6-methyl-2-pyridinyl)methyl]-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126465502
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 90546808
2,2-dimethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid
CID 81370089
2-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457459
(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 139582326
4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 24698656
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 103598251) is N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide is Cc1cccc(CNC(=O)C=Cc2cccs2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YFEURJVENNFDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-4-2-5-12(16-11)10-15-14(17)8-7-13-6-3-9-18-13/h2-9H,10H2,1H3,(H,15,17).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide?
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 258.35 g/mol, XLogP of 2.78, 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)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 103598251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).