4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide

C12H13N5O2 — CID 90103288

IUPAC4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(=O)[nH]nc2C(N)=O)nc1C
InChIInChI=1S/C12H13N5O2/c1-6-3-4-9(14-7(6)2)15-8-5-10(18)16-17-11(8)12(13)19/h3-5H,1-2H3,(H2,13,19)(H2,14,15,16,18)
InChIKeyPJVSFWSMWSNBFD-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.62
Rot. Bonds3

About 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide

4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 90103288) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID90103288
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(=O)[nH]nc2C(N)=O)nc1C
InChIInChI=1S/C12H13N5O2/c1-6-3-4-9(14-7(6)2)15-8-5-10(18)16-17-11(8)12(13)19/h3-5H,1-2H3,(H2,13,19)(H2,14,15,16,18)
InChIKeyPJVSFWSMWSNBFD-UHFFFAOYSA-N
XLogP0.62
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide (CID 90103288) is 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccc(Nc2cc(=O)[nH]nc2C(N)=O)nc1C.
What is the InChIKey of 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PJVSFWSMWSNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-6-3-4-9(14-7(6)2)15-8-5-10(18)16-17-11(8)12(13)19/h3-5H,1-2H3,(H2,13,19)(H2,14,15,16,18).
What are the key properties of 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide?
4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-2-pyridinyl)amino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 90103288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).