(5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C19H27N3O4 — CID 97124013

IUPAC(5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(=O)n1CCC(=O)N1CC[C@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C19H27N3O4/c1-15-4-2-5-17(25)22(15)10-6-16(24)21-11-8-19(14-21)7-3-9-20(12-13-23)18(19)26/h2,4-5,23H,3,6-14H2,1H3/t19-/m1/s1
InChIKeyGIOLIEZHDJARQN-LJQANCHMSA-N
MW361.44 g/mol
LogP0.38
Rot. Bonds5

About (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97124013) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97124013
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(=O)n1CCC(=O)N1CC[C@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C19H27N3O4/c1-15-4-2-5-17(25)22(15)10-6-16(24)21-11-8-19(14-21)7-3-9-20(12-13-23)18(19)26/h2,4-5,23H,3,6-14H2,1H3/t19-/m1/s1
InChIKeyGIOLIEZHDJARQN-LJQANCHMSA-N
XLogP0.38
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97124013) is (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1cccc(=O)n1CCC(=O)N1CC[C@]2(CCCN(CCO)C2=O)C1.
What is the InChIKey of (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GIOLIEZHDJARQN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-15-4-2-5-17(25)22(15)10-6-16(24)21-11-8-19(14-21)7-3-9-20(12-13-23)18(19)26/h2,4-5,23H,3,6-14H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 361.44 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97124013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).