2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide

C25H20FN5O3S — CID 10300003

IUPAC2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide
SMILES[H]/N=C(\N)c1cc(-c2cc(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)ccn2)ccc1F
InChIInChI=1S/C25H20FN5O3S/c26-21-10-7-16(13-20(21)24(27)28)22-14-17(11-12-30-22)25(32)31-18-8-5-15(6-9-18)19-3-1-2-4-23(19)35(29,33)34/h1-14H,(H3,27,28)(H,31,32)(H2,29,33,34)
InChIKeyXLKJEVKKXUBJHA-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide

2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide (PubChem CID 10300003) has the molecular formula C25H20FN5O3S and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide
PubChem CID10300003
Molecular FormulaC25H20FN5O3S
Molecular Weight489.53 g/mol
Exact Mass489.13
IUPAC Name2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide
SMILES[H]/N=C(\N)c1cc(-c2cc(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)ccn2)ccc1F
InChIInChI=1S/C25H20FN5O3S/c26-21-10-7-16(13-20(21)24(27)28)22-14-17(11-12-30-22)25(32)31-18-8-5-15(6-9-18)19-3-1-2-4-23(19)35(29,33)34/h1-14H,(H3,27,28)(H,31,32)(H2,29,33,34)
InChIKeyXLKJEVKKXUBJHA-UHFFFAOYSA-N
XLogP3.74
TPSA152.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3-carbamimidoylphenyl)pyridine-4-carboxamide
CID 10165309
2-(3-carbamimidoylphenoxy)-5-chloro-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 22596395
2-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10389524
4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide
CID 10183163
6-carbamimidoyl-2-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 151427042
2-(3-carbamimidoylphenoxy)-4-(methanesulfonamido)-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 20747446
3-(3-carbamimidoylphenyl)-4,4,4-trifluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 54421193
2-(3-carbamimidoylphenoxy)-4-(dimethylamino)-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 18727571
2-(3-carbamimidoylanilino)-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 10278610
2-(3-carbamimidoylphenoxy)-N-[4-(2-sulfamoylphenyl)phenyl]heptanamide
CID 10228454
(3S)-3-(3-carbamimidoylanilino)-4-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide
CID 151802452
3-(3-carbamimidoylphenyl)-5-(2-methoxyethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide
CID 10697320

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide (CID 10300003) is 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide is [H]/N=C(\N)c1cc(-c2cc(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)ccn2)ccc1F.
What is the InChIKey of 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide?
The InChIKey is XLKJEVKKXUBJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3S/c26-21-10-7-16(13-20(21)24(27)28)22-14-17(11-12-30-22)25(32)31-18-8-5-15(6-9-18)19-3-1-2-4-23(19)35(29,33)34/h1-14H,(H3,27,28)(H,31,32)(H2,29,33,34).
What are the key properties of 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide?
2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 10300003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).