N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide

C19H25N5O2 — CID 142449575

IUPACN'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide
SMILESCc1cn[nH]c(=O)c1/C(N)=N/c1ccc(N2CCCC(CCO)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-13-11-21-23-19(26)17(13)18(20)22-15-4-6-16(7-5-15)24-9-2-3-14(12-24)8-10-25/h4-7,11,14,25H,2-3,8-10,12H2,1H3,(H2,20,22)(H,23,26)
InChIKeyAOPIIIPOSXQLSC-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.71
Rot. Bonds5

About N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide

N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide (PubChem CID 142449575) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide.

Molecular Properties

Compound NameN'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide
PubChem CID142449575
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide
SMILESCc1cn[nH]c(=O)c1/C(N)=N/c1ccc(N2CCCC(CCO)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-13-11-21-23-19(26)17(13)18(20)22-15-4-6-16(7-5-15)24-9-2-3-14(12-24)8-10-25/h4-7,11,14,25H,2-3,8-10,12H2,1H3,(H2,20,22)(H,23,26)
InChIKeyAOPIIIPOSXQLSC-UHFFFAOYSA-N
XLogP1.71
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide 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

N'-[4-[4-(2-hydroxy-2-methylpropanoyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide
CID 142449635
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 107229402
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
CID 57015018
2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 62912136
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976

Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide?
The IUPAC name of N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide (CID 142449575) is N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide.
What is the SMILES notation for N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide?
The canonical SMILES for N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide is Cc1cn[nH]c(=O)c1/C(N)=N/c1ccc(N2CCCC(CCO)C2)cc1.
What is the InChIKey of N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide?
The InChIKey is AOPIIIPOSXQLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-11-21-23-19(26)17(13)18(20)22-15-4-6-16(7-5-15)24-9-2-3-14(12-24)8-10-25/h4-7,11,14,25H,2-3,8-10,12H2,1H3,(H2,20,22)(H,23,26).
What are the key properties of N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide?
N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide has a molecular weight of 355.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide is sourced from PubChem (CID 142449575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).