6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

C14H10BrN3O3 — CID 91625140

IUPAC6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(Br)o1)C2
InChIInChI=1S/C14H10BrN3O3/c15-12-2-1-11(21-12)14(20)18-4-3-10-9(7-18)5-8(6-16)13(19)17-10/h1-2,5H,3-4,7H2,(H,17,19)
InChIKeyPWFIGADCVMUWNP-UHFFFAOYSA-N
MW348.16 g/mol
LogP1.80
Rot. Bonds1

About 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 91625140) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID91625140
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(Br)o1)C2
InChIInChI=1S/C14H10BrN3O3/c15-12-2-1-11(21-12)14(20)18-4-3-10-9(7-18)5-8(6-16)13(19)17-10/h1-2,5H,3-4,7H2,(H,17,19)
InChIKeyPWFIGADCVMUWNP-UHFFFAOYSA-N
XLogP1.80
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

5-bromo-N-cycloheptylfuran-2-carboxamide
CID 673585
5-bromo-N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 1770747
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
(5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 2932965
5-bromo-N-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-2-furamide
CID 2977240
5-Bromo-N-(2-oxo-2-(pyrrolidin-1-yl)ethyl)furan-2-carboxamide
CID 2977895
Cambridge id 6884896
CID 3979269
5-Bromo-N-cyclohexyl-2-furamide
CID 600329
5-bromo-N-(2-(cyclohex-1-en-1-yl)ethyl)furan-2-carboxamide
CID 729887
(5-Bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 24945376
1-(5-Bromo-2-Furoyl)Pyrrolidine
CID 729914
5-bromo-N-{2-[(5-bromo-2-furoyl)amino]ethyl}-2-furamide
CID 1581787

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 91625140) is 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(Br)o1)C2.
What is the InChIKey of 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is PWFIGADCVMUWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-12-2-1-11(21-12)14(20)18-4-3-10-9(7-18)5-8(6-16)13(19)17-10/h1-2,5H,3-4,7H2,(H,17,19).
What are the key properties of 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 348.16 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 6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 91625140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).