6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide

C19H25N5O3 — CID 126931012

IUPAC6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCC(C)n1nc(N2CCCCC2CNC(=O)c2ccc(=O)[nH]c2)ccc1=O
InChIInChI=1S/C19H25N5O3/c1-13(2)24-18(26)9-7-16(22-24)23-10-4-3-5-15(23)12-21-19(27)14-6-8-17(25)20-11-14/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,20,25)(H,21,27)
InChIKeyCXVRMELJPAWUAK-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.30
Rot. Bonds5

About 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 126931012) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID126931012
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCC(C)n1nc(N2CCCCC2CNC(=O)c2ccc(=O)[nH]c2)ccc1=O
InChIInChI=1S/C19H25N5O3/c1-13(2)24-18(26)9-7-16(22-24)23-10-4-3-5-15(23)12-21-19(27)14-6-8-17(25)20-11-14/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,20,25)(H,21,27)
InChIKeyCXVRMELJPAWUAK-UHFFFAOYSA-N
XLogP1.30
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-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 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide (CID 126931012) is 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide is CC(C)n1nc(N2CCCCC2CNC(=O)c2ccc(=O)[nH]c2)ccc1=O.
What is the InChIKey of 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is CXVRMELJPAWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13(2)24-18(26)9-7-16(22-24)23-10-4-3-5-15(23)12-21-19(27)14-6-8-17(25)20-11-14/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,20,25)(H,21,27).
What are the key properties of 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126931012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).