N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide

C21H15ClF4N4O2 — CID 162746788

IUPACN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2Cl)ccn1)c1ccncc1F
InChIInChI=1S/C21H15ClF4N4O2/c1-12(31)30(17-6-7-27-11-16(17)23)18-10-14(5-8-28-18)29-19(32)9-13-3-2-4-15(20(13)22)21(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,29,32)
InChIKeyIQLFPWBLSQOHTE-UHFFFAOYSA-N
MW466.82 g/mol
LogP5.15
Rot. Bonds5

About N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide

N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 162746788) has the molecular formula C21H15ClF4N4O2 and a molecular weight of 466.82 g/mol. Its IUPAC name is N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID162746788
Molecular FormulaC21H15ClF4N4O2
Molecular Weight466.82 g/mol
Exact Mass466.08
IUPAC NameN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2Cl)ccn1)c1ccncc1F
InChIInChI=1S/C21H15ClF4N4O2/c1-12(31)30(17-6-7-27-11-16(17)23)18-10-14(5-8-28-18)29-19(32)9-13-3-2-4-15(20(13)22)21(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,29,32)
InChIKeyIQLFPWBLSQOHTE-UHFFFAOYSA-N
XLogP5.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-(5-fluoro-2-methyl-4-pyridinyl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746501
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chloro-4-fluorophenyl)acetamide;N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 175417454
N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
CID 162746743
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 162746862
2-(2-chloro-3-fluorophenyl)-N-pyridin-4-ylacetamide
CID 166927626
N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428308

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 162746788) is N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2Cl)ccn1)c1ccncc1F.
What is the InChIKey of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IQLFPWBLSQOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N4O2/c1-12(31)30(17-6-7-27-11-16(17)23)18-10-14(5-8-28-18)29-19(32)9-13-3-2-4-15(20(13)22)21(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,29,32).
What are the key properties of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 466.82 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 162746788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).