N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine

C18H24N4O2 — CID 166560783

IUPACN-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
SMILES[2H]C([2H])([2H])Oc1cc2nc3c(c(N[C@@H]4CCCNC4)c2nc1OC([2H])([2H])[2H])CCC3
InChIInChI=1S/C18H24N4O2/c1-23-15-9-14-17(22-18(15)24-2)16(12-6-3-7-13(12)21-14)20-11-5-4-8-19-10-11/h9,11,19H,3-8,10H2,1-2H3,(H,20,21)/t11-/m1/s1/i1D3,2D3
InChIKeyXEFKRTWRJQLSJZ-GBDITWFBSA-N
MW334.45 g/mol
LogP2.30
Rot. Bonds6

About N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine

N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine (PubChem CID 166560783) has the molecular formula C18H24N4O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
PubChem CID166560783
Molecular FormulaC18H24N4O2
Molecular Weight334.45 g/mol
Exact Mass334.23
IUPAC NameN-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
SMILES[2H]C([2H])([2H])Oc1cc2nc3c(c(N[C@@H]4CCCNC4)c2nc1OC([2H])([2H])[2H])CCC3
InChIInChI=1S/C18H24N4O2/c1-23-15-9-14-17(22-18(15)24-2)16(12-6-3-7-13(12)21-14)20-11-5-4-8-19-10-11/h9,11,19H,3-8,10H2,1-2H3,(H,20,21)/t11-/m1/s1/i1D3,2D3
InChIKeyXEFKRTWRJQLSJZ-GBDITWFBSA-N
XLogP2.30
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The IUPAC name of N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine (CID 166560783) is N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine is [2H]C([2H])([2H])Oc1cc2nc3c(c(N[C@@H]4CCCNC4)c2nc1OC([2H])([2H])[2H])CCC3.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The InChIKey is XEFKRTWRJQLSJZ-GBDITWFBSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-15-9-14-17(22-18(15)24-2)16(12-6-3-7-13(12)21-14)20-11-5-4-8-19-10-11/h9,11,19H,3-8,10H2,1-2H3,(H,20,21)/t11-/m1/s1/i1D3,2D3.
What are the key properties of N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine has a molecular weight of 334.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine is sourced from PubChem (CID 166560783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).