N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide

C17H25N3O2 — CID 71942609

IUPACN-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C2CCCCC2)C2CC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-2-12-19-16(21)11-10-15(18-19)17(22)20(14-8-9-14)13-6-4-3-5-7-13/h10-11,13-14H,2-9,12H2,1H3
InChIKeyQDTVBKFBDOHQDT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.59
Rot. Bonds5

About N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide

N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 71942609) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID71942609
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C2CCCCC2)C2CC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-2-12-19-16(21)11-10-15(18-19)17(22)20(14-8-9-14)13-6-4-3-5-7-13/h10-11,13-14H,2-9,12H2,1H3
InChIKeyQDTVBKFBDOHQDT-UHFFFAOYSA-N
XLogP2.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide (CID 71942609) is N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(C2CCCCC2)C2CC2)ccc1=O.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is QDTVBKFBDOHQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-12-19-16(21)11-10-15(18-19)17(22)20(14-8-9-14)13-6-4-3-5-7-13/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide?
N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 71942609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).