N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H16N4O2 — CID 54877505

IUPACN-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H16N4O2/c1-9(10-5-7-14-8-6-10)17(2)13(19)11-3-4-12(18)16-15-11/h5-9H,3-4H2,1-2H3,(H,16,18)
InChIKeyOLDVBYNTKBDDOI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.87
Rot. Bonds3

About N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 54877505) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID54877505
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H16N4O2/c1-9(10-5-7-14-8-6-10)17(2)13(19)11-3-4-12(18)16-15-11/h5-9H,3-4H2,1-2H3,(H,16,18)
InChIKeyOLDVBYNTKBDDOI-UHFFFAOYSA-N
XLogP0.87
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 54877505) is N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(c1ccncc1)N(C)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is OLDVBYNTKBDDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(10-5-7-14-8-6-10)17(2)13(19)11-3-4-12(18)16-15-11/h5-9H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 54877505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).