N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine

C17H19N3 — CID 102877971

IUPACN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
SMILESCNCc1cccc2c1ccn2Cc1cncc(C)c1
InChIInChI=1S/C17H19N3/c1-13-8-14(10-19-9-13)12-20-7-6-16-15(11-18-2)4-3-5-17(16)20/h3-10,18H,11-12H2,1-2H3
InChIKeyLGQJZIIWDKMTDV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine

N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine (PubChem CID 102877971) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
PubChem CID102877971
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
SMILESCNCc1cccc2c1ccn2Cc1cncc(C)c1
InChIInChI=1S/C17H19N3/c1-13-8-14(10-19-9-13)12-20-7-6-16-15(11-18-2)4-3-5-17(16)20/h3-10,18H,11-12H2,1-2H3
InChIKeyLGQJZIIWDKMTDV-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
CID 104801167
2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
CID 102878789
1-[(5-methyl-3-pyridinyl)methyl]indole-4-carbothioamide
CID 107919437
1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102878056
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192
1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
CID 102917234
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine (CID 102877971) is N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine is CNCc1cccc2c1ccn2Cc1cncc(C)c1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine?
The InChIKey is LGQJZIIWDKMTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-8-14(10-19-9-13)12-20-7-6-16-15(11-18-2)4-3-5-17(16)20/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine?
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine is sourced from PubChem (CID 102877971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).