5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one

C17H17BrN4O2 — CID 163356528

IUPAC5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3nc4ncc(Br)cc4cc3C2)CN1
InChIInChI=1S/C17H17BrN4O2/c18-13-6-11-5-12-9-22(4-3-14(12)21-16(11)20-8-13)17(24)10-1-2-15(23)19-7-10/h5-6,8,10H,1-4,7,9H2,(H,19,23)
InChIKeyYHBMINDRRVNYPG-UHFFFAOYSA-N
MW389.25 g/mol
LogP1.80
Rot. Bonds1

About 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one

5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one (PubChem CID 163356528) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one
PubChem CID163356528
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3nc4ncc(Br)cc4cc3C2)CN1
InChIInChI=1S/C17H17BrN4O2/c18-13-6-11-5-12-9-22(4-3-14(12)21-16(11)20-8-13)17(24)10-1-2-15(23)19-7-10/h5-6,8,10H,1-4,7,9H2,(H,19,23)
InChIKeyYHBMINDRRVNYPG-UHFFFAOYSA-N
XLogP1.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one?
The IUPAC name of 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one (CID 163356528) is 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCc3nc4ncc(Br)cc4cc3C2)CN1.
What is the InChIKey of 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one?
The InChIKey is YHBMINDRRVNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c18-13-6-11-5-12-9-22(4-3-14(12)21-16(11)20-8-13)17(24)10-1-2-15(23)19-7-10/h5-6,8,10H,1-4,7,9H2,(H,19,23).
What are the key properties of 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one?
5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one has a molecular weight of 389.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one is sourced from PubChem (CID 163356528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).