2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H23N5O3 — CID 118781576

IUPAC2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCc1cc(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)cc(=O)[nH]1
InChIInChI=1S/C17H23N5O3/c1-4-12-9-11(10-13(23)18-12)14(24)22-7-5-17(6-8-22)15(25)19-16(20-17)21(2)3/h9-10H,4-8H2,1-3H3,(H,18,23)(H,19,20,25)
InChIKeyVYZBRJPNTZPCTI-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.04
Rot. Bonds2

About 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 118781576) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID118781576
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCc1cc(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)cc(=O)[nH]1
InChIInChI=1S/C17H23N5O3/c1-4-12-9-11(10-13(23)18-12)14(24)22-7-5-17(6-8-22)15(25)19-16(20-17)21(2)3/h9-10H,4-8H2,1-3H3,(H,18,23)(H,19,20,25)
InChIKeyVYZBRJPNTZPCTI-UHFFFAOYSA-N
XLogP-0.04
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 91782990
4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one
CID 146131241
4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 72890012
6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 74232175
2-(dimethylamino)-8-[(E)-3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131949792
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139000199
2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 135100603
2-(dimethylamino)-8-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 122131164
2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 119074781
2-(dimethylamino)-8-[(5S)-5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 126439526
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 72940231

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 118781576) is 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCc1cc(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is VYZBRJPNTZPCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-12-9-11(10-13(23)18-12)14(24)22-7-5-17(6-8-22)15(25)19-16(20-17)21(2)3/h9-10H,4-8H2,1-3H3,(H,18,23)(H,19,20,25).
What are the key properties of 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 345.40 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 118781576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).