N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide

C17H24N4O2 — CID 131649044

IUPACN,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN(C)C(=O)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1
InChIInChI=1S/C17H24N4O2/c1-19(2)16(23)21-10-3-6-17(13-21)7-11-20(15(17)22)12-14-4-8-18-9-5-14/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKeyGOTBZMYXDGSKFJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.58
Rot. Bonds2

About N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide

N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 131649044) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID131649044
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN(C)C(=O)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1
InChIInChI=1S/C17H24N4O2/c1-19(2)16(23)21-10-3-6-17(13-21)7-11-20(15(17)22)12-14-4-8-18-9-5-14/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKeyGOTBZMYXDGSKFJ-UHFFFAOYSA-N
XLogP1.58
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-oxo-N-propan-2-yl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490201
9-[2-(dimethylamino)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155855500
(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
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131641976
(5R)-9-(5-methylfuran-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371973
9-(6-methylpyridine-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 155876444
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-sulfonamide
CID 155878552
(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490225
9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131652791
(5S)-9-pent-4-enoyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896975

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide (CID 131649044) is N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide is CN(C)C(=O)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1.
What is the InChIKey of N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is GOTBZMYXDGSKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19(2)16(23)21-10-3-6-17(13-21)7-11-20(15(17)22)12-14-4-8-18-9-5-14/h4-5,8-9H,3,6-7,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide?
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 131649044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).