(5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide

C17H25N5O — CID 164636530

IUPAC(5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCC[C@@]2(CCN(C(=O)Nc3cc4c(nn3)CCC4)C2)C1
InChIInChI=1S/C17H25N5O/c1-21-8-3-6-17(11-21)7-9-22(12-17)16(23)18-15-10-13-4-2-5-14(13)19-20-15/h10H,2-9,11-12H2,1H3,(H,18,20,23)/t17-/m1/s1
InChIKeyCNPJTQBSRUMHCY-QGZVFWFLSA-N
MW315.42 g/mol
LogP1.91
Rot. Bonds1

About (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 164636530) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID164636530
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCC[C@@]2(CCN(C(=O)Nc3cc4c(nn3)CCC4)C2)C1
InChIInChI=1S/C17H25N5O/c1-21-8-3-6-17(11-21)7-9-22(12-17)16(23)18-15-10-13-4-2-5-14(13)19-20-15/h10H,2-9,11-12H2,1H3,(H,18,20,23)/t17-/m1/s1
InChIKeyCNPJTQBSRUMHCY-QGZVFWFLSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 164636530) is (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide is CN1CCC[C@@]2(CCN(C(=O)Nc3cc4c(nn3)CCC4)C2)C1.
What is the InChIKey of (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is CNPJTQBSRUMHCY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21-8-3-6-17(11-21)7-9-22(12-17)16(23)18-15-10-13-4-2-5-14(13)19-20-15/h10H,2-9,11-12H2,1H3,(H,18,20,23)/t17-/m1/s1.
What are the key properties of (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 164636530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).