[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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Related Compounds

[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407495
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
CID 66407282
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine
CID 66407719
[3-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 66150154
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288
[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
CID 66410337
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889043
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853

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).