N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide

C17H25N3O2 — CID 16671502

IUPACN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1CCC1
InChIInChI=1S/C17H25N3O2/c1-11(2)15(18-17(22)13-4-3-5-13)10-20-16(21)9-8-14(19-20)12-6-7-12/h8-9,11-13,15H,3-7,10H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyIYBXNJZROPLUII-OAHLLOKOSA-N
MW303.41 g/mol
LogP2.06
Rot. Bonds6

About N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide

N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide (PubChem CID 16671502) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide
PubChem CID16671502
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1CCC1
InChIInChI=1S/C17H25N3O2/c1-11(2)15(18-17(22)13-4-3-5-13)10-20-16(21)9-8-14(19-20)12-6-7-12/h8-9,11-13,15H,3-7,10H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyIYBXNJZROPLUII-OAHLLOKOSA-N
XLogP2.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide (CID 16671502) is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide is CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1CCC1.
What is the InChIKey of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide?
The InChIKey is IYBXNJZROPLUII-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11(2)15(18-17(22)13-4-3-5-13)10-20-16(21)9-8-14(19-20)12-6-7-12/h8-9,11-13,15H,3-7,10H2,1-2H3,(H,18,22)/t15-/m1/s1.
What are the key properties of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide?
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 16671502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).