4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide

C16H22N4O2 — CID 172569732

IUPAC4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(N2CC3(CNC3)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-17-15(22)5-3-13(7-21)12-2-4-14(19-6-12)20-10-16(11-20)8-18-9-16/h2,4,6-7,13,18H,3,5,8-11H2,1H3,(H,17,22)
InChIKeyUUZDUHKESABTFB-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.30
Rot. Bonds6

About 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide

4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide (PubChem CID 172569732) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
PubChem CID172569732
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(N2CC3(CNC3)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-17-15(22)5-3-13(7-21)12-2-4-14(19-6-12)20-10-16(11-20)8-18-9-16/h2,4,6-7,13,18H,3,5,8-11H2,1H3,(H,17,22)
InChIKeyUUZDUHKESABTFB-UHFFFAOYSA-N
XLogP0.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide
CID 166112823
6-(2,6-diazaspiro[3.3]heptan-2-yl)-N-methylpyridine-3-carboxamide
CID 177042368
4-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
CID 170978871
4-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-N-formylpentanamide
CID 172586968
N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide
CID 166113297
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247
2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane
CID 177083591
4-[4-[2-(2-azaspiro[3.3]heptan-6-yl)ethylamino]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 155752229
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
2-(6-chloro-3-pyridinyl)pentanal
CID 170986632
1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine
CID 138675923

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide (CID 172569732) is 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)c1ccc(N2CC3(CNC3)C2)nc1.
What is the InChIKey of 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
The InChIKey is UUZDUHKESABTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-17-15(22)5-3-13(7-21)12-2-4-14(19-6-12)20-10-16(11-20)8-18-9-16/h2,4,6-7,13,18H,3,5,8-11H2,1H3,(H,17,22).
What are the key properties of 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide has a molecular weight of 302.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 172569732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).