1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide

C16H24N4O3 — CID 56825982

IUPAC1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(CC(=O)NCCCC2CCCCC2)n1
InChIInChI=1S/C16H24N4O3/c17-16(23)13-8-9-15(22)20(19-13)11-14(21)18-10-4-7-12-5-2-1-3-6-12/h8-9,12H,1-7,10-11H2,(H2,17,23)(H,18,21)
InChIKeyLUXRSVRPVKDEHF-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.82
Rot. Bonds7

About 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide

1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 56825982) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
PubChem CID56825982
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(CC(=O)NCCCC2CCCCC2)n1
InChIInChI=1S/C16H24N4O3/c17-16(23)13-8-9-15(22)20(19-13)11-14(21)18-10-4-7-12-5-2-1-3-6-12/h8-9,12H,1-7,10-11H2,(H2,17,23)(H,18,21)
InChIKeyLUXRSVRPVKDEHF-UHFFFAOYSA-N
XLogP0.82
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide (CID 56825982) is 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide is NC(=O)c1ccc(=O)n(CC(=O)NCCCC2CCCCC2)n1.
What is the InChIKey of 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is LUXRSVRPVKDEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-16(23)13-8-9-15(22)20(19-13)11-14(21)18-10-4-7-12-5-2-1-3-6-12/h8-9,12H,1-7,10-11H2,(H2,17,23)(H,18,21).
What are the key properties of 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 56825982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).