N-benzyl-N-pyridin-2-yladamantane-1-carboxamide

C23H26N2O — CID 2851581

IUPACN-benzyl-N-pyridin-2-yladamantane-1-carboxamide
SMILESO=C(N(Cc1ccccc1)c1ccccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)25(21-8-4-5-9-24-21)16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2
InChIKeyLKLFNWAQJYRLDW-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.83
Rot. Bonds4

About N-benzyl-N-pyridin-2-yladamantane-1-carboxamide

N-benzyl-N-pyridin-2-yladamantane-1-carboxamide (PubChem CID 2851581) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-benzyl-N-pyridin-2-yladamantane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-pyridin-2-yladamantane-1-carboxamide
PubChem CID2851581
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-benzyl-N-pyridin-2-yladamantane-1-carboxamide
SMILESO=C(N(Cc1ccccc1)c1ccccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)25(21-8-4-5-9-24-21)16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2
InChIKeyLKLFNWAQJYRLDW-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pyridin-2-yladamantane-1-carboxamide?
The IUPAC name of N-benzyl-N-pyridin-2-yladamantane-1-carboxamide (CID 2851581) is N-benzyl-N-pyridin-2-yladamantane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-pyridin-2-yladamantane-1-carboxamide?
The canonical SMILES for N-benzyl-N-pyridin-2-yladamantane-1-carboxamide is O=C(N(Cc1ccccc1)c1ccccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-benzyl-N-pyridin-2-yladamantane-1-carboxamide?
The InChIKey is LKLFNWAQJYRLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)25(21-8-4-5-9-24-21)16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2.
What are the key properties of N-benzyl-N-pyridin-2-yladamantane-1-carboxamide?
N-benzyl-N-pyridin-2-yladamantane-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pyridin-2-yladamantane-1-carboxamide is sourced from PubChem (CID 2851581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).