N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine

C17H19N3O — CID 102910401

IUPACN-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-12(2)21-17-15(4-3-8-19-17)20-11-13-5-6-14-7-9-18-16(14)10-13/h3-10,12,18,20H,11H2,1-2H3
InChIKeyPAYZMINXKOPORJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds5

About N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine

N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 102910401) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
PubChem CID102910401
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-12(2)21-17-15(4-3-8-19-17)20-11-13-5-6-14-7-9-18-16(14)10-13/h3-10,12,18,20H,11H2,1-2H3
InChIKeyPAYZMINXKOPORJ-UHFFFAOYSA-N
XLogP3.96
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 63047282
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine
CID 75386232
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765
N-(1H-indol-6-ylmethyl)aniline
CID 29012556

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine (CID 102910401) is N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is PAYZMINXKOPORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(2)21-17-15(4-3-8-19-17)20-11-13-5-6-14-7-9-18-16(14)10-13/h3-10,12,18,20H,11H2,1-2H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 281.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 102910401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).