6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H14N4O2 — CID 43397582

IUPAC6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)c1ccccn1
InChIInChI=1S/C12H14N4O2/c1-8(9-4-2-3-7-13-9)14-12(18)10-5-6-11(17)16-15-10/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyRICIOKOSXWMVSD-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.52
Rot. Bonds3

About 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397582) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397582
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)c1ccccn1
InChIInChI=1S/C12H14N4O2/c1-8(9-4-2-3-7-13-9)14-12(18)10-5-6-11(17)16-15-10/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyRICIOKOSXWMVSD-UHFFFAOYSA-N
XLogP0.52
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108737152
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 43524573
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397582) is 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(NC(=O)C1=NNC(=O)CC1)c1ccccn1.
What is the InChIKey of 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is RICIOKOSXWMVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(9-4-2-3-7-13-9)14-12(18)10-5-6-11(17)16-15-10/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).