[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine

C16H17N3 — CID 63889043

IUPAC[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCc1cn(Cc2ccnc(CN)c2)c2ccccc12
InChIInChI=1S/C16H17N3/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-7-18-14(8-13)9-17/h2-8,10H,9,11,17H2,1H3
InChIKeyVCOFZQIRLMXUGY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.85
Rot. Bonds3

About [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine

[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 63889043) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID63889043
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCc1cn(Cc2ccnc(CN)c2)c2ccccc12
InChIInChI=1S/C16H17N3/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-7-18-14(8-13)9-17/h2-8,10H,9,11,17H2,1H3
InChIKeyVCOFZQIRLMXUGY-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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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
Triprolidine
CID 5282443
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine (CID 63889043) is [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine is Cc1cn(Cc2ccnc(CN)c2)c2ccccc12.
What is the InChIKey of [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is VCOFZQIRLMXUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-7-18-14(8-13)9-17/h2-8,10H,9,11,17H2,1H3.
What are the key properties of [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine?
[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]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 [4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63889043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).