4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

C19H20N6 — CID 168937135

IUPAC4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESc1cc(N2C3CNCC2C3)c(NCc2ccc3nccnc3c2)cn1
InChIInChI=1S/C19H20N6/c1-2-16-17(23-6-5-22-16)7-13(1)9-24-18-12-20-4-3-19(18)25-14-8-15(25)11-21-10-14/h1-7,12,14-15,21,24H,8-11H2
InChIKeyDEGWVXUPBVTHBS-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.19
Rot. Bonds4

About 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (PubChem CID 168937135) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
PubChem CID168937135
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESc1cc(N2C3CNCC2C3)c(NCc2ccc3nccnc3c2)cn1
InChIInChI=1S/C19H20N6/c1-2-16-17(23-6-5-22-16)7-13(1)9-24-18-12-20-4-3-19(18)25-14-8-15(25)11-21-10-14/h1-7,12,14-15,21,24H,8-11H2
InChIKeyDEGWVXUPBVTHBS-UHFFFAOYSA-N
XLogP2.19
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (CID 168937135) is 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is c1cc(N2C3CNCC2C3)c(NCc2ccc3nccnc3c2)cn1.
What is the InChIKey of 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The InChIKey is DEGWVXUPBVTHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-16-17(23-6-5-22-16)7-13(1)9-24-18-12-20-4-3-19(18)25-14-8-15(25)11-21-10-14/h1-7,12,14-15,21,24H,8-11H2.
What are the key properties of 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine has a molecular weight of 332.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 168937135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).