N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

C13H11N5O — CID 104670305

IUPACN-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)cn2)c(C)nn1
InChIInChI=1S/C13H11N5O/c1-8-5-11(9(2)18-17-8)13(19)16-12-4-3-10(6-14)7-15-12/h3-5,7H,1-2H3,(H,15,16,19)
InChIKeyGDIJYOBPCNULMZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.61
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104670305) has the molecular formula C13H11N5O and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104670305
Molecular FormulaC13H11N5O
Molecular Weight253.26 g/mol
Exact Mass253.10
IUPAC NameN-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)cn2)c(C)nn1
InChIInChI=1S/C13H11N5O/c1-8-5-11(9(2)18-17-8)13(19)16-12-4-3-10(6-14)7-15-12/h3-5,7H,1-2H3,(H,15,16,19)
InChIKeyGDIJYOBPCNULMZ-UHFFFAOYSA-N
XLogP1.61
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79502806
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)thiophene-3-carboxamide
CID 55209975
N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 115876919
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669159

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104670305) is N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C#N)cn2)c(C)nn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is GDIJYOBPCNULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-5-11(9(2)18-17-8)13(19)16-12-4-3-10(6-14)7-15-12/h3-5,7H,1-2H3,(H,15,16,19).
What are the key properties of N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104670305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).