6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate

C35H38Cl2N6O5 — CID 167626330

About 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate

6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate (PubChem CID 167626330) has the molecular formula C35H38Cl2N6O5 and a molecular weight of 693.63 g/mol. Its IUPAC name is 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
• PubChem CID: 167626330
• Molecular Formula: C35H38Cl2N6O5
• Molecular Weight: 693.63 g/mol
• Exact Mass: 692.23
• IUPAC Name: 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
• SMILES: COC(=O)c1cc(Cl)c(C)nc1Nc1c(C)ccnc1C(C)C.COc1nc2c(cc1Cl)C(=O)CC(=O)N2c1c(C)ccnc1C(C)C
• InChI: InChI=1S/C18H18ClN3O3.C17H20ClN3O2/c1-9(2)15-16(10(3)5-6-20-15)22-14(24)8-13(23)11-7-12(19)18(25-4)21-17(11)22;1-9(2)14-15(10(3)6-7-19-14)21-16-12(17(22)23-5)8-13(18)11(4)20-16/h5-7,9H,8H2,1-4H3;6-9H,1-5H3,(H,20,21)
• InChIKey: NDQMBUDQTPGILX-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 136.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.63
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?

The IUPAC name of 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate (CID 167626330) is 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate.

What is the SMILES notation for 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?

The canonical SMILES for 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate is COC(=O)c1cc(Cl)c(C)nc1Nc1c(C)ccnc1C(C)C.COc1nc2c(cc1Cl)C(=O)CC(=O)N2c1c(C)ccnc1C(C)C.

What is the InChIKey of 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?

The InChIKey is NDQMBUDQTPGILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3.C17H20ClN3O2/c1-9(2)15-16(10(3)5-6-20-15)22-14(24)8-13(23)11-7-12(19)18(25-4)21-17(11)22;1-9(2)14-15(10(3)6-7-19-14)21-16-12(17(22)23-5)8-13(18)11(4)20-16/h5-7,9H,8H2,1-4H3;6-9H,1-5H3,(H,20,21).

What are the key properties of 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?

6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate has a molecular weight of 693.63 g/mol, XLogP of 8.22, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridine-2,4-dione;methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 167626330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).