N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide

C17H25N3O3 — CID 110211154

IUPACN-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide
SMILESC[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C1CCCO1
InChIInChI=1S/C17H25N3O3/c1-12(18-17(22)15-8-5-9-23-15)11-20-16(21)10-13-6-3-2-4-7-14(13)19-20/h10,12,15H,2-9,11H2,1H3,(H,18,22)/t12-,15?/m1/s1
InChIKeyPTQWZTKNIIWOOJ-KEKZHRQWSA-N
MW319.41 g/mol
LogP1.20
Rot. Bonds4

About N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide

N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide (PubChem CID 110211154) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide
PubChem CID110211154
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide
SMILESC[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C1CCCO1
InChIInChI=1S/C17H25N3O3/c1-12(18-17(22)15-8-5-9-23-15)11-20-16(21)10-13-6-3-2-4-7-14(13)19-20/h10,12,15H,2-9,11H2,1H3,(H,18,22)/t12-,15?/m1/s1
InChIKeyPTQWZTKNIIWOOJ-KEKZHRQWSA-N
XLogP1.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide (CID 110211154) is N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide is C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C1CCCO1.
What is the InChIKey of N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide?
The InChIKey is PTQWZTKNIIWOOJ-KEKZHRQWSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(18-17(22)15-8-5-9-23-15)11-20-16(21)10-13-6-3-2-4-7-14(13)19-20/h10,12,15H,2-9,11H2,1H3,(H,18,22)/t12-,15?/m1/s1.
What are the key properties of N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide?
N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 110211154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).