1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride

C28H38ClN5O2 — CID 126736254

About 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride

1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride (PubChem CID 126736254) has the molecular formula C28H38ClN5O2 and a molecular weight of 512.10 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride
• PubChem CID: 126736254
• Molecular Formula: C28H38ClN5O2
• Molecular Weight: 512.10 g/mol
• Exact Mass: 511.27
• IUPAC Name: 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride
• SMILES: Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)C3CCN(C4CNC4)CC3)c3ccccc23)c(=O)[nH]1.Cl
• InChI: InChI=1S/C28H37N5O2.ClH/c1-17-13-18(2)31-27(34)24(17)16-30-28(35)26-20(4)33(25-8-6-5-7-23(25)26)19(3)21-9-11-32(12-10-21)22-14-29-15-22;/h5-8,13,19,21-22,29H,9-12,14-16H2,1-4H3,(H,30,35)(H,31,34);1H/t19-;/m0./s1
• InChIKey: DOLLUXCISZIOGJ-FYZYNONXSA-N
• XLogP: 3.85
• TPSA: 82.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.10
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride?

The IUPAC name of 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride (CID 126736254) is 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride.

What is the SMILES notation for 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride?

The canonical SMILES for 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride is Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)C3CCN(C4CNC4)CC3)c3ccccc23)c(=O)[nH]1.Cl.

What is the InChIKey of 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride?

The InChIKey is DOLLUXCISZIOGJ-FYZYNONXSA-N. The full InChI is InChI=1S/C28H37N5O2.ClH/c1-17-13-18(2)31-27(34)24(17)16-30-28(35)26-20(4)33(25-8-6-5-7-23(25)26)19(3)21-9-11-32(12-10-21)22-14-29-15-22;/h5-8,13,19,21-22,29H,9-12,14-16H2,1-4H3,(H,30,35)(H,31,34);1H/t19-;/m0./s1.

What are the key properties of 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride?

1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride has a molecular weight of 512.10 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 126736254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).