3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

C20H28N2O — CID 2955990

IUPAC3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccccn1)(C2)C3
InChIInChI=1S/C20H28N2O/c1-17-9-18(2)11-19(3,10-17)14-20(12-17,13-18)16(23)22-8-15-6-4-5-7-21-15/h4-7H,8-14H2,1-3H3,(H,22,23)
InChIKeyAHPNZAHPLYNADQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.08
Rot. Bonds3

About 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 2955990) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide
PubChem CID2955990
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccccn1)(C2)C3
InChIInChI=1S/C20H28N2O/c1-17-9-18(2)11-19(3,10-17)14-20(12-17,13-18)16(23)22-8-15-6-4-5-7-21-15/h4-7H,8-14H2,1-3H3,(H,22,23)
InChIKeyAHPNZAHPLYNADQ-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide (CID 2955990) is 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide is CC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccccn1)(C2)C3.
What is the InChIKey of 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is AHPNZAHPLYNADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-17-9-18(2)11-19(3,10-17)14-20(12-17,13-18)16(23)22-8-15-6-4-5-7-21-15/h4-7H,8-14H2,1-3H3,(H,22,23).
What are the key properties of 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide?
3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 2955990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).