N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide

C19H16ClFN4OS — CID 143915364

IUPACN-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide
SMILESO=S(Nc1cc(N2CCc3ncccc3C2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4OS/c20-19-18(24-27(26)16-5-3-14(21)4-6-16)10-15(11-23-19)25-9-7-17-13(12-25)2-1-8-22-17/h1-6,8,10-11,24H,7,9,12H2
InChIKeyYZWZDUUTXFCSNC-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.97
Rot. Bonds4

About N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide

N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide (PubChem CID 143915364) has the molecular formula C19H16ClFN4OS and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide.

Molecular Properties

Compound NameN-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide
PubChem CID143915364
Molecular FormulaC19H16ClFN4OS
Molecular Weight402.88 g/mol
Exact Mass402.07
IUPAC NameN-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide
SMILESO=S(Nc1cc(N2CCc3ncccc3C2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4OS/c20-19-18(24-27(26)16-5-3-14(21)4-6-16)10-15(11-23-19)25-9-7-17-13(12-25)2-1-8-22-17/h1-6,8,10-11,24H,7,9,12H2
InChIKeyYZWZDUUTXFCSNC-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide?
The IUPAC name of N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide (CID 143915364) is N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide.
What is the SMILES notation for N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide?
The canonical SMILES for N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide is O=S(Nc1cc(N2CCc3ncccc3C2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide?
The InChIKey is YZWZDUUTXFCSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4OS/c20-19-18(24-27(26)16-5-3-14(21)4-6-16)10-15(11-23-19)25-9-7-17-13(12-25)2-1-8-22-17/h1-6,8,10-11,24H,7,9,12H2.
What are the key properties of N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide?
N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide has a molecular weight of 402.88 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfinamide is sourced from PubChem (CID 143915364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).