N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

C22H23N3S — CID 110222149

IUPACN-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(Cc2ccsc2)NCc2cn(C)c3ccccc23)nc1
InChIInChI=1S/C22H23N3S/c1-16-7-8-20(23-12-16)21(11-17-9-10-26-15-17)24-13-18-14-25(2)22-6-4-3-5-19(18)22/h3-10,12,14-15,21,24H,11,13H2,1-2H3
InChIKeyDXWMBMCGUPLGHH-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.02
Rot. Bonds6

About N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (PubChem CID 110222149) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
PubChem CID110222149
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(Cc2ccsc2)NCc2cn(C)c3ccccc23)nc1
InChIInChI=1S/C22H23N3S/c1-16-7-8-20(23-12-16)21(11-17-9-10-26-15-17)24-13-18-14-25(2)22-6-4-3-5-19(18)22/h3-10,12,14-15,21,24H,11,13H2,1-2H3
InChIKeyDXWMBMCGUPLGHH-UHFFFAOYSA-N
XLogP5.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222148
1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 110222156
N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222143
3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92559124
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92562330
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209349
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
(1S)-N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92602063
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (CID 110222149) is N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is Cc1ccc(C(Cc2ccsc2)NCc2cn(C)c3ccccc23)nc1.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The InChIKey is DXWMBMCGUPLGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/c1-16-7-8-20(23-12-16)21(11-17-9-10-26-15-17)24-13-18-14-25(2)22-6-4-3-5-19(18)22/h3-10,12,14-15,21,24H,11,13H2,1-2H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine has a molecular weight of 361.51 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 110222149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).