N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C19H29N5O — CID 118740826

IUPACN-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1ccc(N2CCCC3(CCN(C(=O)NC4CCCC4)C3)C2)nn1
InChIInChI=1S/C19H29N5O/c1-15-7-8-17(22-21-15)23-11-4-9-19(13-23)10-12-24(14-19)18(25)20-16-5-2-3-6-16/h7-8,16H,2-6,9-14H2,1H3,(H,20,25)
InChIKeyYLANILRYGXOGGB-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.73
Rot. Bonds2

About N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 118740826) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID118740826
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1ccc(N2CCCC3(CCN(C(=O)NC4CCCC4)C3)C2)nn1
InChIInChI=1S/C19H29N5O/c1-15-7-8-17(22-21-15)23-11-4-9-19(13-23)10-12-24(14-19)18(25)20-16-5-2-3-6-16/h7-8,16H,2-6,9-14H2,1H3,(H,20,25)
InChIKeyYLANILRYGXOGGB-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 118740826) is N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1ccc(N2CCCC3(CCN(C(=O)NC4CCCC4)C3)C2)nn1.
What is the InChIKey of N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is YLANILRYGXOGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-7-8-17(22-21-15)23-11-4-9-19(13-23)10-12-24(14-19)18(25)20-16-5-2-3-6-16/h7-8,16H,2-6,9-14H2,1H3,(H,20,25).
What are the key properties of N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 118740826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).