N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide

C21H25N3O — CID 70221747

IUPACN-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide
SMILESCN1CC2CCC1(C(NC(=O)c1ccccn1)c1ccccc1)CC2
InChIInChI=1S/C21H25N3O/c1-24-15-16-10-12-21(24,13-11-16)19(17-7-3-2-4-8-17)23-20(25)18-9-5-6-14-22-18/h2-9,14,16,19H,10-13,15H2,1H3,(H,23,25)
InChIKeyKDEZOMNSUFPIAO-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide

N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide (PubChem CID 70221747) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide
PubChem CID70221747
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide
SMILESCN1CC2CCC1(C(NC(=O)c1ccccn1)c1ccccc1)CC2
InChIInChI=1S/C21H25N3O/c1-24-15-16-10-12-21(24,13-11-16)19(17-7-3-2-4-8-17)23-20(25)18-9-5-6-14-22-18/h2-9,14,16,19H,10-13,15H2,1H3,(H,23,25)
InChIKeyKDEZOMNSUFPIAO-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide (CID 70221747) is N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide is CN1CC2CCC1(C(NC(=O)c1ccccn1)c1ccccc1)CC2.
What is the InChIKey of N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide?
The InChIKey is KDEZOMNSUFPIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-24-15-16-10-12-21(24,13-11-16)19(17-7-3-2-4-8-17)23-20(25)18-9-5-6-14-22-18/h2-9,14,16,19H,10-13,15H2,1H3,(H,23,25).
What are the key properties of N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide?
N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 70221747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).