3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide

C16H22N2O2 — CID 3708282

IUPAC3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccncc3)(CC1O)C2(C)C
InChIInChI=1S/C16H22N2O2/c1-14(2)15(3)6-7-16(14,10-12(15)19)13(20)18-11-4-8-17-9-5-11/h4-5,8-9,12,19H,6-7,10H2,1-3H3,(H,17,18,20)
InChIKeyWQZLNKMQHLGYET-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.60
Rot. Bonds2

About 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide

3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 3708282) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID3708282
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccncc3)(CC1O)C2(C)C
InChIInChI=1S/C16H22N2O2/c1-14(2)15(3)6-7-16(14,10-12(15)19)13(20)18-11-4-8-17-9-5-11/h4-5,8-9,12,19H,6-7,10H2,1-3H3,(H,17,18,20)
InChIKeyWQZLNKMQHLGYET-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide (CID 3708282) is 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)Nc3ccncc3)(CC1O)C2(C)C.
What is the InChIKey of 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WQZLNKMQHLGYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-14(2)15(3)6-7-16(14,10-12(15)19)13(20)18-11-4-8-17-9-5-11/h4-5,8-9,12,19H,6-7,10H2,1-3H3,(H,17,18,20).
What are the key properties of 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide?
3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,7,7-trimethyl-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 3708282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).