7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone

C13H11IN2OS — CID 79694045

IUPAC7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCc2ncccc2C1
InChIInChI=1S/C13H11IN2OS/c14-12-6-10(8-18-12)13(17)16-5-3-11-9(7-16)2-1-4-15-11/h1-2,4,6,8H,3,5,7H2
InChIKeyVUUVEXYAQKWOPL-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.95
Rot. Bonds1

About 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone

7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone (PubChem CID 79694045) has the molecular formula C13H11IN2OS and a molecular weight of 370.22 g/mol. Its IUPAC name is 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
PubChem CID79694045
Molecular FormulaC13H11IN2OS
Molecular Weight370.22 g/mol
Exact Mass369.96
IUPAC Name7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCc2ncccc2C1
InChIInChI=1S/C13H11IN2OS/c14-12-6-10(8-18-12)13(17)16-5-3-11-9(7-16)2-1-4-15-11/h1-2,4,6,8H,3,5,7H2
InChIKeyVUUVEXYAQKWOPL-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60861567
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(5-iodothiophen-3-yl)methanone
CID 78949525
(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 63188563
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213138
(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 103830275
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
CID 70840492
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid
CID 60861409

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone (CID 79694045) is 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCc2ncccc2C1.
What is the InChIKey of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone?
The InChIKey is VUUVEXYAQKWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2OS/c14-12-6-10(8-18-12)13(17)16-5-3-11-9(7-16)2-1-4-15-11/h1-2,4,6,8H,3,5,7H2.
What are the key properties of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone?
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone has a molecular weight of 370.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 79694045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).