N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide

C16H25N3O2 — CID 46419861

IUPACN-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCCC(C)C2C)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-4-10-19-15(20)9-8-14(18-19)16(21)17-13-7-5-6-11(2)12(13)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,17,21)
InChIKeyRYETYQNXOQQPDT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 46419861) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID46419861
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCCC(C)C2C)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-4-10-19-15(20)9-8-14(18-19)16(21)17-13-7-5-6-11(2)12(13)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,17,21)
InChIKeyRYETYQNXOQQPDT-UHFFFAOYSA-N
XLogP2.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 46419861) is N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC2CCCC(C)C2C)ccc1=O.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is RYETYQNXOQQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-10-19-15(20)9-8-14(18-19)16(21)17-13-7-5-6-11(2)12(13)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,17,21).
What are the key properties of N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 46419861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).