8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one

C25H23ClN2O2 — CID 174170947

About 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one

8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (PubChem CID 174170947) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.

Molecular Properties

• Compound Name: 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
• PubChem CID: 174170947
• Molecular Formula: C25H23ClN2O2
• Molecular Weight: 418.92 g/mol
• Exact Mass: 418.14
• IUPAC Name: 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
• SMILES: Cc1cc([C@@H](C)Nc2ccc(C)nc2Cl)c2oc(-c3ccccc3)c(C)c(=O)c2c1
• InChI: InChI=1S/C25H23ClN2O2/c1-14-12-19(17(4)28-21-11-10-15(2)27-25(21)26)24-20(13-14)22(29)16(3)23(30-24)18-8-6-5-7-9-18/h5-13,17,28H,1-4H3/t17-/m1/s1
• InChIKey: YIVCDBKXVBVMKM-QGZVFWFLSA-N
• XLogP: 6.61
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.92
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?

The IUPAC name of 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (CID 174170947) is 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.

What is the SMILES notation for 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?

The canonical SMILES for 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is Cc1cc([C@@H](C)Nc2ccc(C)nc2Cl)c2oc(-c3ccccc3)c(C)c(=O)c2c1.

What is the InChIKey of 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?

The InChIKey is YIVCDBKXVBVMKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-14-12-19(17(4)28-21-11-10-15(2)27-25(21)26)24-20(13-14)22(29)16(3)23(30-24)18-8-6-5-7-9-18/h5-13,17,28H,1-4H3/t17-/m1/s1.

What are the key properties of 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?

8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one has a molecular weight of 418.92 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 174170947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).