2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C18H26N4O3 — CID 72837268

IUPAC2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCC(O)c1cccc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1
InChIInChI=1S/C18H26N4O3/c1-13(23)14-3-2-4-16(20-14)21-9-7-18(8-10-21)6-5-17(25)22(12-18)11-15(19)24/h2-4,13,23H,5-12H2,1H3,(H2,19,24)
InChIKeyCZDAKVQFQKSHID-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.83
Rot. Bonds4

About 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 72837268) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID72837268
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCC(O)c1cccc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1
InChIInChI=1S/C18H26N4O3/c1-13(23)14-3-2-4-16(20-14)21-9-7-18(8-10-21)6-5-17(25)22(12-18)11-15(19)24/h2-4,13,23H,5-12H2,1H3,(H2,19,24)
InChIKeyCZDAKVQFQKSHID-UHFFFAOYSA-N
XLogP0.83
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 72837268) is 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is CC(O)c1cccc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1.
What is the InChIKey of 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is CZDAKVQFQKSHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(23)14-3-2-4-16(20-14)21-9-7-18(8-10-21)6-5-17(25)22(12-18)11-15(19)24/h2-4,13,23H,5-12H2,1H3,(H2,19,24).
What are the key properties of 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[6-(1-hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 72837268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).