N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide

C17H25N5O2 — CID 51369274

IUPACN-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCCCCNC(=O)CN1CCC2(CC1)N=C(c1ccccn1)NO2
InChIInChI=1S/C17H25N5O2/c1-2-3-9-19-15(23)13-22-11-7-17(8-12-22)20-16(21-24-17)14-6-4-5-10-18-14/h4-6,10H,2-3,7-9,11-13H2,1H3,(H,19,23)(H,20,21)
InChIKeyYMVXGLMWMOEOPT-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.07
Rot. Bonds6

About N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide

N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (PubChem CID 51369274) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
PubChem CID51369274
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCCCCNC(=O)CN1CCC2(CC1)N=C(c1ccccn1)NO2
InChIInChI=1S/C17H25N5O2/c1-2-3-9-19-15(23)13-22-11-7-17(8-12-22)20-16(21-24-17)14-6-4-5-10-18-14/h4-6,10H,2-3,7-9,11-13H2,1H3,(H,19,23)(H,20,21)
InChIKeyYMVXGLMWMOEOPT-UHFFFAOYSA-N
XLogP1.07
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369219
N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369234
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 51369333
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 18163237
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The IUPAC name of N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (CID 51369274) is N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is CCCCNC(=O)CN1CCC2(CC1)N=C(c1ccccn1)NO2.
What is the InChIKey of N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The InChIKey is YMVXGLMWMOEOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-3-9-19-15(23)13-22-11-7-17(8-12-22)20-16(21-24-17)14-6-4-5-10-18-14/h4-6,10H,2-3,7-9,11-13H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is sourced from PubChem (CID 51369274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).