N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

C19H25FN4O2 — CID 26392612

IUPACN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESO=C1CCC(CCC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)=NN1
InChIInChI=1S/C19H25FN4O2/c20-17-6-2-1-4-14(17)12-24-11-3-5-16(13-24)21-18(25)9-7-15-8-10-19(26)23-22-15/h1-2,4,6,16H,3,5,7-13H2,(H,21,25)(H,23,26)/t16-/m1/s1
InChIKeySWGLXKNEVWXSCV-MRXNPFEDSA-N
MW360.43 g/mol
LogP1.95
Rot. Bonds6

About N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 26392612) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID26392612
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESO=C1CCC(CCC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)=NN1
InChIInChI=1S/C19H25FN4O2/c20-17-6-2-1-4-14(17)12-24-11-3-5-16(13-24)21-18(25)9-7-15-8-10-19(26)23-22-15/h1-2,4,6,16H,3,5,7-13H2,(H,21,25)(H,23,26)/t16-/m1/s1
InChIKeySWGLXKNEVWXSCV-MRXNPFEDSA-N
XLogP1.95
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 11726399
CID 11726399
CID 69323902
CID 69323902
CID 16189572
CID 16189572
CID 2854714
CID 2854714
CID 24821029
CID 24821029
CID 24821031
CID 24821031
CID 24822105
CID 24822105
CID 25119423
CID 25119423
CID 25122972
CID 25122972
CID 46216737
CID 46216737
CID 46216738
CID 46216738
CID 46229747
CID 46229747

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 26392612) is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is O=C1CCC(CCC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)=NN1.
What is the InChIKey of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is SWGLXKNEVWXSCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-17-6-2-1-4-14(17)12-24-11-3-5-16(13-24)21-18(25)9-7-15-8-10-19(26)23-22-15/h1-2,4,6,16H,3,5,7-13H2,(H,21,25)(H,23,26)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 360.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 26392612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).