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

C62H77ClN12O4 — CID 157490697

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

7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 157490697) has the molecular formula C62H77ClN12O4 and a molecular weight of 1089.83 g/mol. Its IUPAC name is 7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one
• PubChem CID: 157490697
• Molecular Formula: C62H77ClN12O4
• Molecular Weight: 1089.83 g/mol
• Exact Mass: 1088.59
• IUPAC Name: 7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one
• SMILES: CCN(CC)CCOc1ccc(N)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)CC2)nc1.CN1CCC(n2c(=O)c(-c3ccccc3)cc3cnc(Cl)cc32)CC1
• InChI: InChI=1S/C31H38N6O2.C20H20ClN3O.C11H19N3O/c1-4-36(5-2)17-18-39-26-11-12-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-9-7-6-8-10-23)31(38)37(28)25-13-15-35(3)16-14-25;1-23-9-7-16(8-10-23)24-18-12-19(21)22-13-15(18)11-17(20(24)25)14-5-3-2-4-6-14;1-3-14(4-2)7-8-15-10-5-6-11(12)13-9-10/h6-12,19-22,25H,4-5,13-18H2,1-3H3,(H,32,33,34);2-6,11-13,16H,7-10H2,1H3;5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13)
• InChIKey: BXFUHFFXEVHLKU-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 165.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1089.83
LogP ≤ 5	10.56
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-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one?

The IUPAC name of 7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one (CID 157490697) is 7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one.

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

The canonical SMILES for 7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(N)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)CC2)nc1.CN1CCC(n2c(=O)c(-c3ccccc3)cc3cnc(Cl)cc32)CC1.

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

The InChIKey is BXFUHFFXEVHLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O2.C20H20ClN3O.C11H19N3O/c1-4-36(5-2)17-18-39-26-11-12-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-9-7-6-8-10-23)31(38)37(28)25-13-15-35(3)16-14-25;1-23-9-7-16(8-10-23)24-18-12-19(21)22-13-15(18)11-17(20(24)25)14-5-3-2-4-6-14;1-3-14(4-2)7-8-15-10-5-6-11(12)13-9-10/h6-12,19-22,25H,4-5,13-18H2,1-3H3,(H,32,33,34);2-6,11-13,16H,7-10H2,1H3;5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13).

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

7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 1089.83 g/mol, XLogP of 10.56, 18 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 157490697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).