2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide

C19H26N6O2 — CID 137045930

IUPAC2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C
InChIInChI=1S/C19H26N6O2/c1-12-11-24(8-9-25(12)13(2)19(27)21-3)16-10-15(22-23-18(16)20)14-6-4-5-7-17(14)26/h4-7,10,12-13,26H,8-9,11H2,1-3H3,(H2,20,23)(H,21,27)/t12-,13?/m1/s1
InChIKeyFCFNLMHNKCLMPF-PZORYLMUSA-N
MW370.46 g/mol
LogP1.08
Rot. Bonds4

About 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide

2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide (PubChem CID 137045930) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide
PubChem CID137045930
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C
InChIInChI=1S/C19H26N6O2/c1-12-11-24(8-9-25(12)13(2)19(27)21-3)16-10-15(22-23-18(16)20)14-6-4-5-7-17(14)26/h4-7,10,12-13,26H,8-9,11H2,1-3H3,(H2,20,23)(H,21,27)/t12-,13?/m1/s1
InChIKeyFCFNLMHNKCLMPF-PZORYLMUSA-N
XLogP1.08
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide (CID 137045930) is 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C.
What is the InChIKey of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide?
The InChIKey is FCFNLMHNKCLMPF-PZORYLMUSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-11-24(8-9-25(12)13(2)19(27)21-3)16-10-15(22-23-18(16)20)14-6-4-5-7-17(14)26/h4-7,10,12-13,26H,8-9,11H2,1-3H3,(H2,20,23)(H,21,27)/t12-,13?/m1/s1.
What are the key properties of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide?
2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide has a molecular weight of 370.46 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 137045930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).