2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H25N3O5 — CID 70740827

IUPAC2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCn1ccc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C(C)=O)C3)cc1=O
InChIInChI=1S/C19H25N3O5/c1-3-20-7-4-14(10-16(20)24)17(25)21-8-5-19(6-9-21)11-15(18(26)27)22(12-19)13(2)23/h4,7,10,15H,3,5-6,8-9,11-12H2,1-2H3,(H,26,27)
InChIKeyMCQRFUONXLQUPR-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.80
Rot. Bonds3

About 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70740827) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70740827
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCn1ccc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C(C)=O)C3)cc1=O
InChIInChI=1S/C19H25N3O5/c1-3-20-7-4-14(10-16(20)24)17(25)21-8-5-19(6-9-21)11-15(18(26)27)22(12-19)13(2)23/h4,7,10,15H,3,5-6,8-9,11-12H2,1-2H3,(H,26,27)
InChIKeyMCQRFUONXLQUPR-UHFFFAOYSA-N
XLogP0.80
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70740827) is 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCn1ccc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C(C)=O)C3)cc1=O.
What is the InChIKey of 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is MCQRFUONXLQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-3-20-7-4-14(10-16(20)24)17(25)21-8-5-19(6-9-21)11-15(18(26)27)22(12-19)13(2)23/h4,7,10,15H,3,5-6,8-9,11-12H2,1-2H3,(H,26,27).
What are the key properties of 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(1-ethyl-2-oxopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70740827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).