4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

C19H22N6 — CID 168936819

IUPAC4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESC1=C(NCc2ccc3nccnc3c2)C(N2CC3CC2CN3)=CCN1
InChIInChI=1S/C19H22N6/c1-2-16-17(22-6-5-21-16)7-13(1)9-24-18-11-20-4-3-19(18)25-12-14-8-15(25)10-23-14/h1-3,5-7,11,14-15,20,23-24H,4,8-10,12H2
InChIKeyKFCHVIZGMUFKIC-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.09
Rot. Bonds4

About 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (PubChem CID 168936819) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
PubChem CID168936819
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESC1=C(NCc2ccc3nccnc3c2)C(N2CC3CC2CN3)=CCN1
InChIInChI=1S/C19H22N6/c1-2-16-17(22-6-5-21-16)7-13(1)9-24-18-11-20-4-3-19(18)25-12-14-8-15(25)10-23-14/h1-3,5-7,11,14-15,20,23-24H,4,8-10,12H2
InChIKeyKFCHVIZGMUFKIC-UHFFFAOYSA-N
XLogP1.09
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (CID 168936819) is 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is C1=C(NCc2ccc3nccnc3c2)C(N2CC3CC2CN3)=CCN1.
What is the InChIKey of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is KFCHVIZGMUFKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-16-17(22-6-5-21-16)7-13(1)9-24-18-11-20-4-3-19(18)25-12-14-8-15(25)10-23-14/h1-3,5-7,11,14-15,20,23-24H,4,8-10,12H2.
What are the key properties of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine has a molecular weight of 334.43 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168936819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).