7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one

C60H61ClN12O4 — CID 159662885

About 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one

7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one (PubChem CID 159662885) has the molecular formula C60H61ClN12O4 and a molecular weight of 1049.68 g/mol. Its IUPAC name is 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one
• PubChem CID: 159662885
• Molecular Formula: C60H61ClN12O4
• Molecular Weight: 1049.68 g/mol
• Exact Mass: 1048.46
• IUPAC Name: 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one
• SMILES: CCN(CC)CCOc1ccc(N)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3-c2ccncc2)nc1.O=c1c(-c2ccccc2)cc2cnc(Cl)cc2n1-c1ccncc1
• InChI: InChI=1S/C30H30N6O2.C19H12ClN3O.C11H19N3O/c1-3-35(4-2)16-17-38-25-10-11-28(33-21-25)34-29-19-27-23(20-32-29)18-26(22-8-6-5-7-9-22)30(37)36(27)24-12-14-31-15-13-24;20-18-11-17-14(12-22-18)10-16(13-4-2-1-3-5-13)19(24)23(17)15-6-8-21-9-7-15;1-3-14(4-2)7-8-15-10-5-6-11(12)13-9-10/h5-15,18-21H,3-4,16-17H2,1-2H3,(H,32,33,34);1-12H;5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13)
• InChIKey: MTANWWQXEQPHJV-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 184.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1049.68
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one?

The IUPAC name of 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one (CID 159662885) is 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one.

What is the SMILES notation for 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one?

The canonical SMILES for 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(N)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3-c2ccncc2)nc1.O=c1c(-c2ccccc2)cc2cnc(Cl)cc2n1-c1ccncc1.

What is the InChIKey of 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one?

The InChIKey is MTANWWQXEQPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2.C19H12ClN3O.C11H19N3O/c1-3-35(4-2)16-17-38-25-10-11-28(33-21-25)34-29-19-27-23(20-32-29)18-26(22-8-6-5-7-9-22)30(37)36(27)24-12-14-31-15-13-24;20-18-11-17-14(12-22-18)10-16(13-4-2-1-3-5-13)19(24)23(17)15-6-8-21-9-7-15;1-3-14(4-2)7-8-15-10-5-6-11(12)13-9-10/h5-15,18-21H,3-4,16-17H2,1-2H3,(H,32,33,34);1-12H;5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13).

What are the key properties of 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one?

7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one has a molecular weight of 1049.68 g/mol, XLogP of 10.79, 18 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-4-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 159662885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).