[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine

C16H17N3 — CID 112651068

IUPAC[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine
SMILESCc1cccnc1Cn1cc(CN)c2ccccc21
InChIInChI=1S/C16H17N3/c1-12-5-4-8-18-15(12)11-19-10-13(9-17)14-6-2-3-7-16(14)19/h2-8,10H,9,11,17H2,1H3
InChIKeyVZMNKKCJJHLPGF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.85
Rot. Bonds3

About [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine

[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine (PubChem CID 112651068) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine
PubChem CID112651068
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine
SMILESCc1cccnc1Cn1cc(CN)c2ccccc21
InChIInChI=1S/C16H17N3/c1-12-5-4-8-18-15(12)11-19-10-13(9-17)14-6-2-3-7-16(14)19/h2-8,10H,9,11,17H2,1H3
InChIKeyVZMNKKCJJHLPGF-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine?
The IUPAC name of [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine (CID 112651068) is [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine?
The canonical SMILES for [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine is Cc1cccnc1Cn1cc(CN)c2ccccc21.
What is the InChIKey of [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine?
The InChIKey is VZMNKKCJJHLPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-5-4-8-18-15(12)11-19-10-13(9-17)14-6-2-3-7-16(14)19/h2-8,10H,9,11,17H2,1H3.
What are the key properties of [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine?
[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 112651068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).