1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine

C16H17N3O — CID 102910851

IUPAC1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc3[nH]ccc3c2)ccn1
InChIInChI=1S/C16H17N3O/c1-20-16-9-13(4-6-19-16)11-17-10-12-2-3-15-14(8-12)5-7-18-15/h2-9,17-18H,10-11H2,1H3
InChIKeyHWQABKGWZUMKEL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.86
Rot. Bonds5

About 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine

1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine (PubChem CID 102910851) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
PubChem CID102910851
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc3[nH]ccc3c2)ccn1
InChIInChI=1S/C16H17N3O/c1-20-16-9-13(4-6-19-16)11-17-10-12-2-3-15-14(8-12)5-7-18-15/h2-9,17-18H,10-11H2,1H3
InChIKeyHWQABKGWZUMKEL-UHFFFAOYSA-N
XLogP2.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 17221715
1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102910898
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
1-(1H-indol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 102910805
1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 102910896
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile
CID 107880215
1-(1H-indol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 102910369

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine (CID 102910851) is 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine is COc1cc(CNCc2ccc3[nH]ccc3c2)ccn1.
What is the InChIKey of 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine?
The InChIKey is HWQABKGWZUMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-9-13(4-6-19-16)11-17-10-12-2-3-15-14(8-12)5-7-18-15/h2-9,17-18H,10-11H2,1H3.
What are the key properties of 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine?
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 102910851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).