8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H29N3O4 — CID 70739284

IUPAC8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)CC1C(=O)O
InChIInChI=1S/C20H29N3O4/c1-4-7-23-12-20(11-16(23)19(26)27)5-8-22(9-6-20)18(25)15-10-13(2)14(3)21-17(15)24/h10,16H,4-9,11-12H2,1-3H3,(H,21,24)(H,26,27)
InChIKeyDEMSGVBJFXIOJW-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.78
Rot. Bonds4

About 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70739284) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70739284
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)CC1C(=O)O
InChIInChI=1S/C20H29N3O4/c1-4-7-23-12-20(11-16(23)19(26)27)5-8-22(9-6-20)18(25)15-10-13(2)14(3)21-17(15)24/h10,16H,4-9,11-12H2,1-3H3,(H,21,24)(H,26,27)
InChIKeyDEMSGVBJFXIOJW-UHFFFAOYSA-N
XLogP1.78
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

8-[(2,6-Dimethyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72898887
8-[(1,4,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72909157
8-[(5-Cyano-6-hydroxy-4-methyl-3-pyridinyl)carbonyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72912624
(2S)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 69474147
(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 69474166
1-[(1-Butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 69474431
(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylhexanoic acid
CID 89503071
2-[[1-(Cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-4-methylhexanoic acid
CID 174508956
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid
CID 174523181
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43170933
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171066
8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56885905

Frequently Asked Questions

What is the IUPAC name of 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70739284) is 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)CC1C(=O)O.
What is the InChIKey of 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DEMSGVBJFXIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-7-23-12-20(11-16(23)19(26)27)5-8-22(9-6-20)18(25)15-10-13(2)14(3)21-17(15)24/h10,16H,4-9,11-12H2,1-3H3,(H,21,24)(H,26,27).
What are the key properties of 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70739284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).