N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide

C19H16FN3OS — CID 168913880

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cn1
InChIInChI=1S/C19H16FN3OS/c1-25-18-9-5-14(11-22-18)19(24)23-17-10-13(4-8-16(17)21)12-2-6-15(20)7-3-12/h2-11H,21H2,1H3,(H,23,24)
InChIKeySVOUROBNYSJNJM-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.44
Rot. Bonds4

About N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide (PubChem CID 168913880) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
PubChem CID168913880
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cn1
InChIInChI=1S/C19H16FN3OS/c1-25-18-9-5-14(11-22-18)19(24)23-17-10-13(4-8-16(17)21)12-2-6-15(20)7-3-12/h2-11H,21H2,1H3,(H,23,24)
InChIKeySVOUROBNYSJNJM-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
CID 168913873
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 167993671
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-(1H-imidazol-5-ylsulfonimidoyl)pyridine-3-carboxamide
CID 168792781
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-prop-1-en-2-yl-3-pyridinyl)sulfanyl]benzamide
CID 168913889
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(6-cyano-3-pyridinyl)sulfonimidoyl]benzamide
CID 168792410
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide
CID 168913947
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
CID 168792625
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[5-(2-methoxyethoxymethyl)-3-pyridinyl]sulfanyl]benzamide
CID 168913828
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[6-(2-methoxyethoxymethyl)-3-pyridinyl]sulfonimidoyl]benzamide
CID 168792521
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide
CID 168913846

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide (CID 168913880) is N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide is CSc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cn1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide?
The InChIKey is SVOUROBNYSJNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-25-18-9-5-14(11-22-18)19(24)23-17-10-13(4-8-16(17)21)12-2-6-15(20)7-3-12/h2-11H,21H2,1H3,(H,23,24).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 168913880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).