9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C19H21N5O2 — CID 131641976

IUPAC9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccnnc1)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1
InChIInChI=1S/C19H21N5O2/c25-17(16-4-9-21-22-12-16)24-10-1-5-19(14-24)6-11-23(18(19)26)13-15-2-7-20-8-3-15/h2-4,7-9,12H,1,5-6,10-11,13-14H2
InChIKeyHEUSIINYTKBOLC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.53
Rot. Bonds3

About 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131641976) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131641976
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccnnc1)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1
InChIInChI=1S/C19H21N5O2/c25-17(16-4-9-21-22-12-16)24-10-1-5-19(14-24)6-11-23(18(19)26)13-15-2-7-20-8-3-15/h2-4,7-9,12H,1,5-6,10-11,13-14H2
InChIKeyHEUSIINYTKBOLC-UHFFFAOYSA-N
XLogP1.53
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-methylpyridine-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 155876444
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131649044
(5R)-9-(5-methylfuran-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371973
(5S)-1-oxo-N-propan-2-yl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490201
(5R)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896992
(5S)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896990
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373946
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490135
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
(5R)-9-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896827
9-[2-(dimethylamino)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155855500

Frequently Asked Questions

What is the IUPAC name of 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131641976) is 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccnnc1)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1.
What is the InChIKey of 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is HEUSIINYTKBOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17(16-4-9-21-22-12-16)24-10-1-5-19(14-24)6-11-23(18(19)26)13-15-2-7-20-8-3-15/h2-4,7-9,12H,1,5-6,10-11,13-14H2.
What are the key properties of 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 351.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131641976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).