9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H28ClN3O2 — CID 120984051

About 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984051) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• PubChem CID: 120984051
• Molecular Formula: C18H28ClN3O2
• Molecular Weight: 353.89 g/mol
• Exact Mass: 353.19
• IUPAC Name: 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• SMILES: Cc1cc(C)c(CNC(=O)C2CC3CCCC(C2)C3N)c(=O)[nH]1.Cl
• InChI: InChI=1S/C18H27N3O2.ClH/c1-10-6-11(2)21-18(23)15(10)9-20-17(22)14-7-12-4-3-5-13(8-14)16(12)19;/h6,12-14,16H,3-5,7-9,19H2,1-2H3,(H,20,22)(H,21,23);1H
• InChIKey: MLRJMCYFKBZGMW-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 87.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.89
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The IUPAC name of 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984051) is 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

What is the SMILES notation for 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The canonical SMILES for 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cc1cc(C)c(CNC(=O)C2CC3CCCC(C2)C3N)c(=O)[nH]1.Cl.

What is the InChIKey of 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The InChIKey is MLRJMCYFKBZGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-10-6-11(2)21-18(23)15(10)9-20-17(22)14-7-12-4-3-5-13(8-14)16(12)19;/h6,12-14,16H,3-5,7-9,19H2,1-2H3,(H,20,22)(H,21,23);1H.

What are the key properties of 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).