potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane

C47H48BrF2KN8O2 — CID 157067029

IUPACpotassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane
SMILESBrc1ccccn1.C.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2ccccn2)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CNCC1.[H-].[K+]
InChIInChI=1S/C23H21FN4O.C18H18FN3O.C5H4BrN.CH4.K.H/c1-16-10-13-28(22-4-2-3-11-26-22)15-20(16)17-5-7-18(8-6-17)27-23(29)19-9-12-25-14-21(19)24;1-12-6-8-20-10-16(12)13-2-4-14(5-3-13)22-18(23)15-7-9-21-11-17(15)19;6-5-3-1-2-4-7-5;;;/h2-9,11-12,14H,10,13,15H2,1H3,(H,27,29);2-5,7,9,11,20H,6,8,10H2,1H3,(H,22,23);1-4H;1H4;;/q;;;;+1;-1
InChIKeyVZBPYKRGWYGMPZ-UHFFFAOYSA-N
MW913.95 g/mol
LogP7.39
Rot. Bonds7

About potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane

potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane (PubChem CID 157067029) has the molecular formula C47H48BrF2KN8O2 and a molecular weight of 913.95 g/mol. Its IUPAC name is potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane.

Molecular Properties

Compound Namepotassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane
PubChem CID157067029
Molecular FormulaC47H48BrF2KN8O2
Molecular Weight913.95 g/mol
Exact Mass912.27
IUPAC Namepotassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane
SMILESBrc1ccccn1.C.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2ccccn2)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CNCC1.[H-].[K+]
InChIInChI=1S/C23H21FN4O.C18H18FN3O.C5H4BrN.CH4.K.H/c1-16-10-13-28(22-4-2-3-11-26-22)15-20(16)17-5-7-18(8-6-17)27-23(29)19-9-12-25-14-21(19)24;1-12-6-8-20-10-16(12)13-2-4-14(5-3-13)22-18(23)15-7-9-21-11-17(15)19;6-5-3-1-2-4-7-5;;;/h2-9,11-12,14H,10,13,15H2,1H3,(H,27,29);2-5,7,9,11,20H,6,8,10H2,1H3,(H,22,23);1-4H;1H4;;/q;;;;+1;-1
InChIKeyVZBPYKRGWYGMPZ-UHFFFAOYSA-N
XLogP7.39
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.95
LogP ≤ 57.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane?
The IUPAC name of potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane (CID 157067029) is potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane.
What is the SMILES notation for potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane?
The canonical SMILES for potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane is Brc1ccccn1.C.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2ccccn2)CC1.CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CNCC1.[H-].[K+].
What is the InChIKey of potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane?
The InChIKey is VZBPYKRGWYGMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O.C18H18FN3O.C5H4BrN.CH4.K.H/c1-16-10-13-28(22-4-2-3-11-26-22)15-20(16)17-5-7-18(8-6-17)27-23(29)19-9-12-25-14-21(19)24;1-12-6-8-20-10-16(12)13-2-4-14(5-3-13)22-18(23)15-7-9-21-11-17(15)19;6-5-3-1-2-4-7-5;;;/h2-9,11-12,14H,10,13,15H2,1H3,(H,27,29);2-5,7,9,11,20H,6,8,10H2,1H3,(H,22,23);1-4H;1H4;;/q;;;;+1;-1.
What are the key properties of potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane?
potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane has a molecular weight of 913.95 g/mol, XLogP of 7.39, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-bromopyridine;3-fluoro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)phenyl]pyridine-4-carboxamide;hydride;methane is sourced from PubChem (CID 157067029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).