N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide

C19H24N4O3 — CID 16675340

IUPACN-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCC(CC(O)c2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)CC1
InChIInChI=1S/C19H24N4O3/c1-23-10-8-13(9-11-23)12-17(24)14-2-4-15(5-3-14)20-19(26)16-6-7-18(25)22-21-16/h2-7,13,17,24H,8-12H2,1H3,(H,20,26)(H,22,25)
InChIKeyMPGLXFUCCNYQQL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.79
Rot. Bonds5

About N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 16675340) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID16675340
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCC(CC(O)c2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)CC1
InChIInChI=1S/C19H24N4O3/c1-23-10-8-13(9-11-23)12-17(24)14-2-4-15(5-3-14)20-19(26)16-6-7-18(25)22-21-16/h2-7,13,17,24H,8-12H2,1H3,(H,20,26)(H,22,25)
InChIKeyMPGLXFUCCNYQQL-UHFFFAOYSA-N
XLogP1.79
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 16675340) is N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide is CN1CCC(CC(O)c2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)CC1.
What is the InChIKey of N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MPGLXFUCCNYQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23-10-8-13(9-11-23)12-17(24)14-2-4-15(5-3-14)20-19(26)16-6-7-18(25)22-21-16/h2-7,13,17,24H,8-12H2,1H3,(H,20,26)(H,22,25).
What are the key properties of N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 16675340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).