6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol

C64H71BBr2N16O8 — CID 162232264

About 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol

6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol (PubChem CID 162232264) has the molecular formula C64H71BBr2N16O8 and a molecular weight of 1363.00 g/mol. Its IUPAC name is 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol.

Molecular Properties

• Compound Name: 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol
• PubChem CID: 162232264
• Molecular Formula: C64H71BBr2N16O8
• Molecular Weight: 1363.00 g/mol
• Exact Mass: 1360.41
• IUPAC Name: 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol
• SMILES: CC1(C)OB(c2cncc(C3(O)CCOCC3)c2)OC1(C)C.N#Cc1ccc2c(n1)NCCC2.N#Cc1nc2c(cc1-c1cncc(C3(O)CCOCC3)c1)CCCN2C(N)=O.N#Cc1nc2c(cc1Br)CCCN2.N#Cc1nc2c(cc1Br)CCCN2C(N)=O
• InChI: InChI=1S/C20H21N5O3.C16H24BNO4.C10H9BrN4O.C9H8BrN3.C9H9N3/c21-10-17-16(9-13-2-1-5-25(19(22)26)18(13)24-17)14-8-15(12-23-11-14)20(27)3-6-28-7-4-20;1-14(2)15(3,4)22-17(21-14)13-9-12(10-18-11-13)16(19)5-7-20-8-6-16;11-7-4-6-2-1-3-15(10(13)16)9(6)14-8(7)5-12;10-7-4-6-2-1-3-12-9(6)13-8(7)5-11;10-6-8-4-3-7-2-1-5-11-9(7)12-8/h8-9,11-12,27H,1-7H2,(H2,22,26);9-11,19H,5-8H2,1-4H3;4H,1-3H2,(H2,13,16);4H,1-3H2,(H,12,13);3-4H,1-2,5H2,(H,11,12)
• InChIKey: ZVOXHWHDRHYEPN-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 366.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 4
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1363.00
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

The IUPAC name of 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol (CID 162232264) is 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol.

What is the SMILES notation for 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

The canonical SMILES for 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol is CC1(C)OB(c2cncc(C3(O)CCOCC3)c2)OC1(C)C.N#Cc1ccc2c(n1)NCCC2.N#Cc1nc2c(cc1-c1cncc(C3(O)CCOCC3)c1)CCCN2C(N)=O.N#Cc1nc2c(cc1Br)CCCN2.N#Cc1nc2c(cc1Br)CCCN2C(N)=O.

What is the InChIKey of 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

The InChIKey is ZVOXHWHDRHYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3.C16H24BNO4.C10H9BrN4O.C9H8BrN3.C9H9N3/c21-10-17-16(9-13-2-1-5-25(19(22)26)18(13)24-17)14-8-15(12-23-11-14)20(27)3-6-28-7-4-20;1-14(2)15(3,4)22-17(21-14)13-9-12(10-18-11-13)16(19)5-7-20-8-6-16;11-7-4-6-2-1-3-15(10(13)16)9(6)14-8(7)5-12;10-7-4-6-2-1-3-12-9(6)13-8(7)5-11;10-6-8-4-3-7-2-1-5-11-9(7)12-8/h8-9,11-12,27H,1-7H2,(H2,22,26);9-11,19H,5-8H2,1-4H3;4H,1-3H2,(H2,13,16);4H,1-3H2,(H,12,13);3-4H,1-2,5H2,(H,11,12).

What are the key properties of 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol has a molecular weight of 1363.00 g/mol, XLogP of 8.16, 4 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-cyano-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;7-cyano-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbonitrile;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol is sourced from PubChem (CID 162232264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).