N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide

C20H15F2N3O2S — CID 55834013

IUPACN-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C20H15F2N3O2S/c21-13-4-7-15(8-5-13)28-12-19(26)24-18-11-14(22)6-9-16(18)25-20(27)17-3-1-2-10-23-17/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyAQJGUEVSZJNUQT-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.34
Rot. Bonds6

About N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide

N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 55834013) has the molecular formula C20H15F2N3O2S and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID55834013
Molecular FormulaC20H15F2N3O2S
Molecular Weight399.42 g/mol
Exact Mass399.09
IUPAC NameN-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C20H15F2N3O2S/c21-13-4-7-15(8-5-13)28-12-19(26)24-18-11-14(22)6-9-16(18)25-20(27)17-3-1-2-10-23-17/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyAQJGUEVSZJNUQT-UHFFFAOYSA-N
XLogP4.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
CID 119844812
N-[4-fluoro-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]pyridine-2-carboxamide
CID 55984193
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide
CID 60560086
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55984704
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide
CID 55833499
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 35938252
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78893655
N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 55834776
N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
CID 76869971

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide (CID 55834013) is N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide is O=C(CSc1ccc(F)cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is AQJGUEVSZJNUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2S/c21-13-4-7-15(8-5-13)28-12-19(26)24-18-11-14(22)6-9-16(18)25-20(27)17-3-1-2-10-23-17/h1-11H,12H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 55834013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).