3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide

C22H32N2O2 — CID 112829756

IUPAC3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cn1
InChIInChI=1S/C22H32N2O2/c1-15(2)26-18-6-5-16(10-23-18)11-24-19(25)22-9-17-7-20(3,13-22)12-21(4,8-17)14-22/h5-6,10,15,17H,7-9,11-14H2,1-4H3,(H,24,25)
InChIKeyRYPPENGJXTXZDB-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.48
Rot. Bonds5

About 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide

3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide (PubChem CID 112829756) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide
PubChem CID112829756
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cn1
InChIInChI=1S/C22H32N2O2/c1-15(2)26-18-6-5-16(10-23-18)11-24-19(25)22-9-17-7-20(3,13-22)12-21(4,8-17)14-22/h5-6,10,15,17H,7-9,11-14H2,1-4H3,(H,24,25)
InChIKeyRYPPENGJXTXZDB-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide (CID 112829756) is 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide is CC(C)Oc1ccc(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cn1.
What is the InChIKey of 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide?
The InChIKey is RYPPENGJXTXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15(2)26-18-6-5-16(10-23-18)11-24-19(25)22-9-17-7-20(3,13-22)12-21(4,8-17)14-22/h5-6,10,15,17H,7-9,11-14H2,1-4H3,(H,24,25).
What are the key properties of 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide?
3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 112829756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).