6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C48H62Br3N9O8S3 — CID 158739417

About 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158739417) has the molecular formula C48H62Br3N9O8S3 and a molecular weight of 1228.99 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158739417
• Molecular Formula: C48H62Br3N9O8S3
• Molecular Weight: 1228.99 g/mol
• Exact Mass: 1225.14
• IUPAC Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CCS(=O)(=O)C[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CCS(=O)(=O)C[C@H](C)c1cncc(Br)c1.CCS(=O)(=O)C[C@H](C)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21
• InChI: InChI=1S/C19H24N4O3S.2C10H14BrNO2S.C9H10BrN3O/c1-3-27(25,26)12-13(2)15-8-16(10-21-9-15)17-7-14-5-4-6-23(19(20)24)18(14)22-11-17;2*1-3-15(13,14)7-8(2)9-4-10(11)6-12-5-9;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h7-11,13H,3-6,12H2,1-2H3,(H2,20,24);2*4-6,8H,3,7H2,1-2H3;4-5H,1-3H2,(H2,11,14)/t13-;2*8-;/m000./s1
• InChIKey: IMCFHYCNFTYIMI-KVKXUSGVSA-N
• XLogP: 8.95
• TPSA: 259.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1228.99
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158739417) is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCS(=O)(=O)C[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CCS(=O)(=O)C[C@H](C)c1cncc(Br)c1.CCS(=O)(=O)C[C@H](C)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21.

What is the InChIKey of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is IMCFHYCNFTYIMI-KVKXUSGVSA-N. The full InChI is InChI=1S/C19H24N4O3S.2C10H14BrNO2S.C9H10BrN3O/c1-3-27(25,26)12-13(2)15-8-16(10-21-9-15)17-7-14-5-4-6-23(19(20)24)18(14)22-11-17;2*1-3-15(13,14)7-8(2)9-4-10(11)6-12-5-9;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h7-11,13H,3-6,12H2,1-2H3,(H2,20,24);2*4-6,8H,3,7H2,1-2H3;4-5H,1-3H2,(H2,11,14)/t13-;2*8-;/m000./s1.

What are the key properties of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1228.99 g/mol, XLogP of 8.95, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine);6-[5-[(2R)-1-ethylsulfonylpropan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158739417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).