5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine

C19H21N3O — CID 25213245

IUPAC5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine
SMILESCc1cc(NC2CCOCC2)c2[nH]c(-c3ccccn3)cc2c1
InChIInChI=1S/C19H21N3O/c1-13-10-14-12-17(16-4-2-3-7-20-16)22-19(14)18(11-13)21-15-5-8-23-9-6-15/h2-4,7,10-12,15,21-22H,5-6,8-9H2,1H3
InChIKeyYEJCDFXPCOUGFF-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.13
Rot. Bonds3

About 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine

5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine (PubChem CID 25213245) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine
PubChem CID25213245
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine
SMILESCc1cc(NC2CCOCC2)c2[nH]c(-c3ccccn3)cc2c1
InChIInChI=1S/C19H21N3O/c1-13-10-14-12-17(16-4-2-3-7-20-16)22-19(14)18(11-13)21-15-5-8-23-9-6-15/h2-4,7,10-12,15,21-22H,5-6,8-9H2,1H3
InChIKeyYEJCDFXPCOUGFF-UHFFFAOYSA-N
XLogP4.13
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine?
The IUPAC name of 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine (CID 25213245) is 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine.
What is the SMILES notation for 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine?
The canonical SMILES for 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine is Cc1cc(NC2CCOCC2)c2[nH]c(-c3ccccn3)cc2c1.
What is the InChIKey of 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine?
The InChIKey is YEJCDFXPCOUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-10-14-12-17(16-4-2-3-7-20-16)22-19(14)18(11-13)21-15-5-8-23-9-6-15/h2-4,7,10-12,15,21-22H,5-6,8-9H2,1H3.
What are the key properties of 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine?
5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine has a molecular weight of 307.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine is sourced from PubChem (CID 25213245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).