5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine

C26H34N4 — CID 58472196

IUPAC5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine
SMILESc1ncc(Nc2ccc3c(C4CCCCC4)c[nH]c3c2)cc1NCC1CCCCC1
InChIInChI=1S/C26H34N4/c1-3-7-19(8-4-1)15-28-22-13-23(17-27-16-22)30-21-11-12-24-25(18-29-26(24)14-21)20-9-5-2-6-10-20/h11-14,16-20,28-30H,1-10,15H2
InChIKeyPEHPGAMRLQHBBI-UHFFFAOYSA-N
MW402.59 g/mol
LogP7.35
Rot. Bonds6

About 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine

5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine (PubChem CID 58472196) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine
PubChem CID58472196
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine
SMILESc1ncc(Nc2ccc3c(C4CCCCC4)c[nH]c3c2)cc1NCC1CCCCC1
InChIInChI=1S/C26H34N4/c1-3-7-19(8-4-1)15-28-22-13-23(17-27-16-22)30-21-11-12-24-25(18-29-26(24)14-21)20-9-5-2-6-10-20/h11-14,16-20,28-30H,1-10,15H2
InChIKeyPEHPGAMRLQHBBI-UHFFFAOYSA-N
XLogP7.35
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine (CID 58472196) is 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine is c1ncc(Nc2ccc3c(C4CCCCC4)c[nH]c3c2)cc1NCC1CCCCC1.
What is the InChIKey of 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine?
The InChIKey is PEHPGAMRLQHBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c1-3-7-19(8-4-1)15-28-22-13-23(17-27-16-22)30-21-11-12-24-25(18-29-26(24)14-21)20-9-5-2-6-10-20/h11-14,16-20,28-30H,1-10,15H2.
What are the key properties of 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine?
5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine has a molecular weight of 402.59 g/mol, XLogP of 7.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-cyclohexyl-1H-indol-6-yl)-3-N-(cyclohexylmethyl)pyridine-3,5-diamine is sourced from PubChem (CID 58472196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).