(3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H29N3O4 — CID 95723974

IUPAC(3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCn1c(C)cc(C)c(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)c1=O
InChIInChI=1S/C20H29N3O4/c1-5-23-14(3)10-13(2)16(18(23)25)17(24)22-8-6-20(7-9-22)11-15(19(26)27)21(4)12-20/h10,15H,5-9,11-12H2,1-4H3,(H,26,27)/t15-/m1/s1
InChIKeyXOWSWZXMKQDACU-OAHLLOKOSA-N
MW375.47 g/mol
LogP1.50
Rot. Bonds3

About (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95723974) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95723974
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name(3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCn1c(C)cc(C)c(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)c1=O
InChIInChI=1S/C20H29N3O4/c1-5-23-14(3)10-13(2)16(18(23)25)17(24)22-8-6-20(7-9-22)11-15(19(26)27)21(4)12-20/h10,15H,5-9,11-12H2,1-4H3,(H,26,27)/t15-/m1/s1
InChIKeyXOWSWZXMKQDACU-OAHLLOKOSA-N
XLogP1.50
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95723974) is (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCn1c(C)cc(C)c(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)c1=O.
What is the InChIKey of (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is XOWSWZXMKQDACU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-5-23-14(3)10-13(2)16(18(23)25)17(24)22-8-6-20(7-9-22)11-15(19(26)27)21(4)12-20/h10,15H,5-9,11-12H2,1-4H3,(H,26,27)/t15-/m1/s1.
What are the key properties of (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95723974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).