1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine

C18H21N3O — CID 131910123

IUPAC1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2cc3cc(OC)ccc3[nH]2)nc1
InChIInChI=1S/C18H21N3O/c1-3-13-4-5-15(20-10-13)11-19-12-16-8-14-9-17(22-2)6-7-18(14)21-16/h4-10,19,21H,3,11-12H2,1-2H3
InChIKeyLHWBXYXLTKKDFP-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.42
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine

1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine (PubChem CID 131910123) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine
PubChem CID131910123
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2cc3cc(OC)ccc3[nH]2)nc1
InChIInChI=1S/C18H21N3O/c1-3-13-4-5-15(20-10-13)11-19-12-16-8-14-9-17(22-2)6-7-18(14)21-16/h4-10,19,21H,3,11-12H2,1-2H3
InChIKeyLHWBXYXLTKKDFP-UHFFFAOYSA-N
XLogP3.42
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine
CID 134712219
[4-[[(5-methoxy-1H-indol-2-yl)methylamino]methyl]-2,6-dimethylphenyl] acetate
CID 50970975
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 100792221
2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
1-(5-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 79732624
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 18525193
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285857
5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
CID 54196890

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine (CID 131910123) is 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine is CCc1ccc(CNCc2cc3cc(OC)ccc3[nH]2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine?
The InChIKey is LHWBXYXLTKKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-13-4-5-15(20-10-13)11-19-12-16-8-14-9-17(22-2)6-7-18(14)21-16/h4-10,19,21H,3,11-12H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine?
1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine has a molecular weight of 295.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]methanamine is sourced from PubChem (CID 131910123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).