N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide

C13H16N4O — CID 112702176

IUPACN-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide
SMILESN#CC(NC(=O)c1ccnnc1)C1CCCCC1
InChIInChI=1S/C13H16N4O/c14-8-12(10-4-2-1-3-5-10)17-13(18)11-6-7-15-16-9-11/h6-7,9-10,12H,1-5H2,(H,17,18)
InChIKeyBMNLQJJUYXHYRY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.68
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide

N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide (PubChem CID 112702176) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide
PubChem CID112702176
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide
SMILESN#CC(NC(=O)c1ccnnc1)C1CCCCC1
InChIInChI=1S/C13H16N4O/c14-8-12(10-4-2-1-3-5-10)17-13(18)11-6-7-15-16-9-11/h6-7,9-10,12H,1-5H2,(H,17,18)
InChIKeyBMNLQJJUYXHYRY-UHFFFAOYSA-N
XLogP1.68
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-[cyano(cyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103727982
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
N-[cyano(cyclohexyl)methyl]-3-methylimidazole-4-carboxamide
CID 103510913
N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide
CID 103846977
3-chloro-N-[cyano(cyclohexyl)methyl]-5-methylbenzamide
CID 81001939
N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 63823243
N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 79676947
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide (CID 112702176) is N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide is N#CC(NC(=O)c1ccnnc1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide?
The InChIKey is BMNLQJJUYXHYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-12(10-4-2-1-3-5-10)17-13(18)11-6-7-15-16-9-11/h6-7,9-10,12H,1-5H2,(H,17,18).
What are the key properties of N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide?
N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 112702176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).