N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid

C19H23FN4O5S — CID 155972347

IUPACN-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid
SMILESCC(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)c1ccncc1F)CC2.O=CO
InChIInChI=1S/C18H21FN4O3S.CH2O2/c1-12(2)27(25,26)22-9-13-7-14-11-23(6-4-17(14)21-8-13)18(24)15-3-5-20-10-16(15)19;2-1-3/h3,5,7-8,10,12,22H,4,6,9,11H2,1-2H3;1H,(H,2,3)
InChIKeyOHKDZNZIVLCAQF-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.34
Rot. Bonds5

About N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid

N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid (PubChem CID 155972347) has the molecular formula C19H23FN4O5S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid.

Molecular Properties

Compound NameN-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid
PubChem CID155972347
Molecular FormulaC19H23FN4O5S
Molecular Weight438.48 g/mol
Exact Mass438.14
IUPAC NameN-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid
SMILESCC(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)c1ccncc1F)CC2.O=CO
InChIInChI=1S/C18H21FN4O3S.CH2O2/c1-12(2)27(25,26)22-9-13-7-14-11-23(6-4-17(14)21-8-13)18(24)15-3-5-20-10-16(15)19;2-1-3/h3,5,7-8,10,12,22H,4,6,9,11H2,1-2H3;1H,(H,2,3)
InChIKeyOHKDZNZIVLCAQF-UHFFFAOYSA-N
XLogP1.34
TPSA129.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 155918192
(3-fluoro-4-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 64949904
3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid
CID 155972535
N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide
CID 155911052
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 54103637
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide
CID 155916991
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480
(3-fluoro-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 115646331
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid?
The IUPAC name of N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid (CID 155972347) is N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid.
What is the SMILES notation for N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid?
The canonical SMILES for N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid is CC(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)c1ccncc1F)CC2.O=CO.
What is the InChIKey of N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid?
The InChIKey is OHKDZNZIVLCAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S.CH2O2/c1-12(2)27(25,26)22-9-13-7-14-11-23(6-4-17(14)21-8-13)18(24)15-3-5-20-10-16(15)19;2-1-3/h3,5,7-8,10,12,22H,4,6,9,11H2,1-2H3;1H,(H,2,3).
What are the key properties of N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid?
N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid has a molecular weight of 438.48 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid is sourced from PubChem (CID 155972347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).