1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide

C16H14N6O2 — CID 126854260

IUPAC1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2nccnc2-c2ccncc2)ccc1=O
InChIInChI=1S/C16H14N6O2/c1-22-14(23)3-2-12(21-22)16(24)20-10-13-15(19-9-8-18-13)11-4-6-17-7-5-11/h2-9H,10H2,1H3,(H,20,24)
InChIKeyVMMIIQBBHREQKT-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.56
Rot. Bonds4

About 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide (PubChem CID 126854260) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide
PubChem CID126854260
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2nccnc2-c2ccncc2)ccc1=O
InChIInChI=1S/C16H14N6O2/c1-22-14(23)3-2-12(21-22)16(24)20-10-13-15(19-9-8-18-13)11-4-6-17-7-5-11/h2-9H,10H2,1H3,(H,20,24)
InChIKeyVMMIIQBBHREQKT-UHFFFAOYSA-N
XLogP0.56
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
CID 126854250
1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 126855585
1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 121020005
1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide
CID 98135028
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 66005592
1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 31791793
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide (CID 126854260) is 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NCc2nccnc2-c2ccncc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is VMMIIQBBHREQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-22-14(23)3-2-12(21-22)16(24)20-10-13-15(19-9-8-18-13)11-4-6-17-7-5-11/h2-9H,10H2,1H3,(H,20,24).
What are the key properties of 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 126854260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).