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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Related Compounds

N-cyclopentyl-N-ethyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 52218181
N-cyclohexyl-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443192
N,1-dimethyl-N-(2-methylcyclohexyl)-6-oxopyridazine-3-carboxamide
CID 45873658
6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-ethylpyridazin-3-one
CID 132360437
2-methyl-6-(2-(trifluoromethyl)piperidine-1-carbonyl)pyridazin-3(2H)-one
CID 92092426
6-Cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
CID 46959209
6-methyl-2-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 49704438
N-cyclohexyl-N-methyl-2-(3-methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 49704619
N-Cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-YL]acetamide
CID 51695246
6-Cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one
CID 95798116
6-Cyclopropyl-2-(1-propanoylpiperidin-4-yl)pyridazin-3-one
CID 126468177
2-Cyclohexyl-6-methyl-2,3-dihydropyridazin-3-one
CID 126857288

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).