1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine

C20H21N3S — CID 143891178

IUPAC1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine
SMILESC=C(NC)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1
InChIInChI=1S/C20H21N3S/c1-15(21-2)19-10-11-20(24-19)18-9-8-17(14-23-18)13-22-12-16-6-4-3-5-7-16/h3-11,14,21-22H,1,12-13H2,2H3
InChIKeyINJUHXGPJPAXJN-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.29
Rot. Bonds7

About 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine

1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine (PubChem CID 143891178) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine.

Molecular Properties

Compound Name1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine
PubChem CID143891178
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC Name1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine
SMILESC=C(NC)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1
InChIInChI=1S/C20H21N3S/c1-15(21-2)19-10-11-20(24-19)18-9-8-17(14-23-18)13-22-12-16-6-4-3-5-7-16/h3-11,14,21-22H,1,12-13H2,2H3
InChIKeyINJUHXGPJPAXJN-UHFFFAOYSA-N
XLogP4.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide
CID 58107276
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-phenylmethanamine
CID 46784169
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
N-benzyl-2-trimethylsilylprop-2-en-1-amine
CID 12982619
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
CID 132893916
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137103241
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine?
The IUPAC name of 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine (CID 143891178) is 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine.
What is the SMILES notation for 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine?
The canonical SMILES for 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine is C=C(NC)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1.
What is the InChIKey of 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine?
The InChIKey is INJUHXGPJPAXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-15(21-2)19-10-11-20(24-19)18-9-8-17(14-23-18)13-22-12-16-6-4-3-5-7-16/h3-11,14,21-22H,1,12-13H2,2H3.
What are the key properties of 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine?
1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine has a molecular weight of 335.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[(benzylamino)methyl]-2-pyridinyl]thiophen-2-yl]-N-methylethenamine is sourced from PubChem (CID 143891178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).