N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide

C14H12FN3OS — CID 64949504

IUPACN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESNC(=S)Cc1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C14H12FN3OS/c15-12-8-17-6-5-11(12)14(19)18-10-3-1-9(2-4-10)7-13(16)20/h1-6,8H,7H2,(H2,16,20)(H,18,19)
InChIKeyCGJXUKTWRYLJEG-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.30
Rot. Bonds4

About N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 64949504) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID64949504
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESNC(=S)Cc1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C14H12FN3OS/c15-12-8-17-6-5-11(12)14(19)18-10-3-1-9(2-4-10)7-13(16)20/h1-6,8H,7H2,(H2,16,20)(H,18,19)
InChIKeyCGJXUKTWRYLJEG-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66462226
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950255
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3-carbamothioylpentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 64950085
4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
CID 82179485
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide (CID 64949504) is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide is NC(=S)Cc1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CGJXUKTWRYLJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-12-8-17-6-5-11(12)14(19)18-10-3-1-9(2-4-10)7-13(16)20/h1-6,8H,7H2,(H2,16,20)(H,18,19).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).