8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H24N4O4 — CID 56883887

IUPAC8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESNC(=O)c1ccnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)c1
InChIInChI=1S/C19H24N4O4/c20-16(24)13-3-6-21-15(9-13)22-7-4-19(5-8-22)10-14(18(26)27)23(11-19)17(25)12-1-2-12/h3,6,9,12,14H,1-2,4-5,7-8,10-11H2,(H2,20,24)(H,26,27)
InChIKeyXQAALIHQCIYHCA-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.86
Rot. Bonds4

About 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56883887) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56883887
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESNC(=O)c1ccnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)c1
InChIInChI=1S/C19H24N4O4/c20-16(24)13-3-6-21-15(9-13)22-7-4-19(5-8-22)10-14(18(26)27)23(11-19)17(25)12-1-2-12/h3,6,9,12,14H,1-2,4-5,7-8,10-11H2,(H2,20,24)(H,26,27)
InChIKeyXQAALIHQCIYHCA-UHFFFAOYSA-N
XLogP0.86
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56883887) is 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is NC(=O)c1ccnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)c1.
What is the InChIKey of 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is XQAALIHQCIYHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-16(24)13-3-6-21-15(9-13)22-7-4-19(5-8-22)10-14(18(26)27)23(11-19)17(25)12-1-2-12/h3,6,9,12,14H,1-2,4-5,7-8,10-11H2,(H2,20,24)(H,26,27).
What are the key properties of 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56883887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).