N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

C19H25N3O3 — CID 136548964

IUPACN-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)nc1
InChIInChI=1S/C19H25N3O3/c1-13(23)15-3-4-16(20-11-15)21-18(24)22-12-19(7-2-8-19)17(22)14-5-9-25-10-6-14/h3-4,11,14,17H,2,5-10,12H2,1H3,(H,20,21,24)
InChIKeyCHZMEPFFDHQHJR-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.10
Rot. Bonds3

About N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 136548964) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID136548964
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)nc1
InChIInChI=1S/C19H25N3O3/c1-13(23)15-3-4-16(20-11-15)21-18(24)22-12-19(7-2-8-19)17(22)14-5-9-25-10-6-14/h3-4,11,14,17H,2,5-10,12H2,1H3,(H,20,21,24)
InChIKeyCHZMEPFFDHQHJR-UHFFFAOYSA-N
XLogP3.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (CID 136548964) is N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is CC(=O)c1ccc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)nc1.
What is the InChIKey of N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is CHZMEPFFDHQHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(23)15-3-4-16(20-11-15)21-18(24)22-12-19(7-2-8-19)17(22)14-5-9-25-10-6-14/h3-4,11,14,17H,2,5-10,12H2,1H3,(H,20,21,24).
What are the key properties of N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 136548964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).