N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine

C25H30N6O — CID 134379581

IUPACN-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(Nc3ccnc(C4CC4)c3)cnc2C)cc1N1CCCCC1
InChIInChI=1S/C25H30N6O/c1-3-32-25-24(31-11-5-4-6-12-31)15-23(29-30-25)21-13-20(16-27-17(21)2)28-19-9-10-26-22(14-19)18-7-8-18/h9-10,13-16,18H,3-8,11-12H2,1-2H3,(H,26,28)
InChIKeyBRZPFGJSLMVPAI-UHFFFAOYSA-N
MW430.56 g/mol
LogP5.25
Rot. Bonds7

About N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine

N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine (PubChem CID 134379581) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine
PubChem CID134379581
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(Nc3ccnc(C4CC4)c3)cnc2C)cc1N1CCCCC1
InChIInChI=1S/C25H30N6O/c1-3-32-25-24(31-11-5-4-6-12-31)15-23(29-30-25)21-13-20(16-27-17(21)2)28-19-9-10-26-22(14-19)18-7-8-18/h9-10,13-16,18H,3-8,11-12H2,1-2H3,(H,26,28)
InChIKeyBRZPFGJSLMVPAI-UHFFFAOYSA-N
XLogP5.25
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
The IUPAC name of N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine (CID 134379581) is N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine.
What is the SMILES notation for N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
The canonical SMILES for N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine is CCOc1nnc(-c2cc(Nc3ccnc(C4CC4)c3)cnc2C)cc1N1CCCCC1.
What is the InChIKey of N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
The InChIKey is BRZPFGJSLMVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-3-32-25-24(31-11-5-4-6-12-31)15-23(29-30-25)21-13-20(16-27-17(21)2)28-19-9-10-26-22(14-19)18-7-8-18/h9-10,13-16,18H,3-8,11-12H2,1-2H3,(H,26,28).
What are the key properties of N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine has a molecular weight of 430.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine is sourced from PubChem (CID 134379581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).