4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide

C15H18N2O3 — CID 3669817

IUPAC4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3cccnc3)(OC1=O)C2(C)C
InChIInChI=1S/C15H18N2O3/c1-13(2)14(3)6-7-15(13,20-12(14)19)11(18)17-10-5-4-8-16-9-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyQEGRQZMIAZLWRC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.14
Rot. Bonds2

About 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 3669817) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID3669817
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3cccnc3)(OC1=O)C2(C)C
InChIInChI=1S/C15H18N2O3/c1-13(2)14(3)6-7-15(13,20-12(14)19)11(18)17-10-5-4-8-16-9-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyQEGRQZMIAZLWRC-UHFFFAOYSA-N
XLogP2.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CID 3669817) is 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)Nc3cccnc3)(OC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is QEGRQZMIAZLWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-13(2)14(3)6-7-15(13,20-12(14)19)11(18)17-10-5-4-8-16-9-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3-oxo-N-pyridin-3-yl-2-oxabicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 3669817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).