N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide

C20H30N4O2 — CID 70757374

IUPACN-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCCCNC(=O)N1CCCC2(CCC(=O)N(Cc3ccccn3)C2)C1
InChIInChI=1S/C20H30N4O2/c1-2-3-11-22-19(26)23-13-6-9-20(15-23)10-8-18(25)24(16-20)14-17-7-4-5-12-21-17/h4-5,7,12H,2-3,6,8-11,13-16H2,1H3,(H,22,26)
InChIKeyWFINXTGTEVCIID-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.80
Rot. Bonds5

About N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide

N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 70757374) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound NameN-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID70757374
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCCCNC(=O)N1CCCC2(CCC(=O)N(Cc3ccccn3)C2)C1
InChIInChI=1S/C20H30N4O2/c1-2-3-11-22-19(26)23-13-6-9-20(15-23)10-8-18(25)24(16-20)14-17-7-4-5-12-21-17/h4-5,7,12H,2-3,6,8-11,13-16H2,1H3,(H,22,26)
InChIKeyWFINXTGTEVCIID-UHFFFAOYSA-N
XLogP2.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 70776392
(6R)-8-(2-hydroxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896840
(6R)-8-(3-ethoxypropanoyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896513
1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
CID 95870290
4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
CID 95874562
3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione
CID 97275492
(6S)-8-(2-propan-2-yloxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869134
(6S)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871019
2-[(5-methylpyrazin-2-yl)methyl]-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72886785
N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70776193
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867395

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 70757374) is N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide is CCCCNC(=O)N1CCCC2(CCC(=O)N(Cc3ccccn3)C2)C1.
What is the InChIKey of N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is WFINXTGTEVCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-2-3-11-22-19(26)23-13-6-9-20(15-23)10-8-18(25)24(16-20)14-17-7-4-5-12-21-17/h4-5,7,12H,2-3,6,8-11,13-16H2,1H3,(H,22,26).
What are the key properties of N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 70757374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).