1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide

C13H17N5O — CID 31535350

IUPAC1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1nnc(N2CCC(C(N)=O)CC2)c(C#N)c1C
InChIInChI=1S/C13H17N5O/c1-8-9(2)16-17-13(11(8)7-14)18-5-3-10(4-6-18)12(15)19/h10H,3-6H2,1-2H3,(H2,15,19)
InChIKeyPYXUUQDSBTVCCV-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide

1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 31535350) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID31535350
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1nnc(N2CCC(C(N)=O)CC2)c(C#N)c1C
InChIInChI=1S/C13H17N5O/c1-8-9(2)16-17-13(11(8)7-14)18-5-3-10(4-6-18)12(15)19/h10H,3-6H2,1-2H3,(H2,15,19)
InChIKeyPYXUUQDSBTVCCV-UHFFFAOYSA-N
XLogP0.67
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide (CID 31535350) is 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide is Cc1nnc(N2CCC(C(N)=O)CC2)c(C#N)c1C.
What is the InChIKey of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is PYXUUQDSBTVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-9(2)16-17-13(11(8)7-14)18-5-3-10(4-6-18)12(15)19/h10H,3-6H2,1-2H3,(H2,15,19).
What are the key properties of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide?
1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 31535350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).