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

C24H22ClN3O2 — CID 169270702

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

8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one (PubChem CID 169270702) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one.

Molecular Properties

• Compound Name: 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
• PubChem CID: 169270702
• Molecular Formula: C24H22ClN3O2
• Molecular Weight: 419.91 g/mol
• Exact Mass: 419.14
• IUPAC Name: 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
• SMILES: Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C)c2oc(-c3cccnc3)c(C)c(=O)c2c1
• InChI: InChI=1S/C24H22ClN3O2/c1-13-10-18(15(3)27-20-7-8-21(25)28-16(20)4)24-19(11-13)22(29)14(2)23(30-24)17-6-5-9-26-12-17/h5-12,15,27H,1-4H3/t15-/m1/s1
• InChIKey: LMAAQRUYWRFXDX-OAHLLOKOSA-N
• XLogP: 6.00
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.91
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one?

The IUPAC name of 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one (CID 169270702) is 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one.

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

The canonical SMILES for 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C)c2oc(-c3cccnc3)c(C)c(=O)c2c1.

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

The InChIKey is LMAAQRUYWRFXDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-13-10-18(15(3)27-20-7-8-21(25)28-16(20)4)24-19(11-13)22(29)14(2)23(30-24)17-6-5-9-26-12-17/h5-12,15,27H,1-4H3/t15-/m1/s1.

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

8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one has a molecular weight of 419.91 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 169270702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).