N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H12N4O3 — CID 110744921

IUPACN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1=O
InChIInChI=1S/C12H12N4O3/c1-16-6-2-3-8(12(16)19)7-13-11(18)9-4-5-10(17)15-14-9/h2-6H,7H2,1H3,(H,13,18)(H,15,17)
InChIKeyJIPRYGCSOAVYCU-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.60
Rot. Bonds3

About N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110744921) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110744921
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1=O
InChIInChI=1S/C12H12N4O3/c1-16-6-2-3-8(12(16)19)7-13-11(18)9-4-5-10(17)15-14-9/h2-6H,7H2,1H3,(H,13,18)(H,15,17)
InChIKeyJIPRYGCSOAVYCU-UHFFFAOYSA-N
XLogP-0.60
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103896434
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
2-chloro-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzamide
CID 110730355
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 110730365
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-phenylbenzamide
CID 110730367
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110744921) is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cn1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1=O.
What is the InChIKey of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JIPRYGCSOAVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-16-6-2-3-8(12(16)19)7-13-11(18)9-4-5-10(17)15-14-9/h2-6H,7H2,1H3,(H,13,18)(H,15,17).
What are the key properties of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110744921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).