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

C20H23N5O2 — CID 51369219

IUPACN-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)cc1
InChIInChI=1S/C20H23N5O2/c1-15-5-7-16(8-6-15)22-18(26)14-25-12-9-20(10-13-25)23-19(24-27-20)17-4-2-3-11-21-17/h2-8,11H,9-10,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyKPFSUHPXVLBYIH-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.10
Rot. Bonds4

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

N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (PubChem CID 51369219) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
PubChem CID51369219
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)cc1
InChIInChI=1S/C20H23N5O2/c1-15-5-7-16(8-6-15)22-18(26)14-25-12-9-20(10-13-25)23-19(24-27-20)17-4-2-3-11-21-17/h2-8,11H,9-10,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyKPFSUHPXVLBYIH-UHFFFAOYSA-N
XLogP2.10
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369218
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-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369274
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962233
N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
CID 91888876
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 51369305
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(3-methylphenyl)-2-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 68874135
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (CID 51369219) is N-(4-methylphenyl)-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-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The InChIKey is KPFSUHPXVLBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-5-7-16(8-6-15)22-18(26)14-25-12-9-20(10-13-25)23-19(24-27-20)17-4-2-3-11-21-17/h2-8,11H,9-10,12-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is sourced from PubChem (CID 51369219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).