1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide

C13H19ClN4O2 — CID 100906673

IUPAC1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C13H19ClN4O2/c1-9(8-19)15-13(20)10-4-6-18(7-5-10)12-3-2-11(14)16-17-12/h2-3,9-10,19H,4-8H2,1H3,(H,15,20)/t9-/m1/s1
InChIKeyYLAFMJUXBITKQZ-SECBINFHSA-N
MW298.77 g/mol
LogP0.84
Rot. Bonds4

About 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide (PubChem CID 100906673) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
PubChem CID100906673
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C13H19ClN4O2/c1-9(8-19)15-13(20)10-4-6-18(7-5-10)12-3-2-11(14)16-17-12/h2-3,9-10,19H,4-8H2,1H3,(H,15,20)/t9-/m1/s1
InChIKeyYLAFMJUXBITKQZ-SECBINFHSA-N
XLogP0.84
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide (CID 100906673) is 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide is C[C@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
The InChIKey is YLAFMJUXBITKQZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-9(8-19)15-13(20)10-4-6-18(7-5-10)12-3-2-11(14)16-17-12/h2-3,9-10,19H,4-8H2,1H3,(H,15,20)/t9-/m1/s1.
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100906673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).