4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide

C19H18FN5OS — CID 142371054

IUPAC4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-c2ccc(NSc3cc(OC)ccc3F)cc2)cc1N
InChIInChI=1S/C19H18FN5OS/c1-26-13-6-7-15(20)18(8-13)27-25-12-4-2-11(3-5-12)17-9-16(21)14(10-24-17)19(22)23/h2-10,25H,1H3,(H2,21,24)(H3,22,23)
InChIKeyGKMYBYRHOJMSMB-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.88
Rot. Bonds6

About 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide

4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide (PubChem CID 142371054) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide
PubChem CID142371054
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-c2ccc(NSc3cc(OC)ccc3F)cc2)cc1N
InChIInChI=1S/C19H18FN5OS/c1-26-13-6-7-15(20)18(8-13)27-25-12-4-2-11(3-5-12)17-9-16(21)14(10-24-17)19(22)23/h2-10,25H,1H3,(H2,21,24)(H3,22,23)
InChIKeyGKMYBYRHOJMSMB-UHFFFAOYSA-N
XLogP3.88
TPSA110.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide?
The IUPAC name of 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide (CID 142371054) is 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1cnc(-c2ccc(NSc3cc(OC)ccc3F)cc2)cc1N.
What is the InChIKey of 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide?
The InChIKey is GKMYBYRHOJMSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c1-26-13-6-7-15(20)18(8-13)27-25-12-4-2-11(3-5-12)17-9-16(21)14(10-24-17)19(22)23/h2-10,25H,1H3,(H2,21,24)(H3,22,23).
What are the key properties of 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide?
4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide has a molecular weight of 383.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[(2-fluoro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carboximidamide is sourced from PubChem (CID 142371054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).