N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

C20H15Cl2FN4O2 — CID 162746798

IUPACN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1ccncc1F
InChIInChI=1S/C20H15Cl2FN4O2/c1-12(28)27(18-6-7-24-11-17(18)23)19-9-13(5-8-25-19)26-20(29)10-14-15(21)3-2-4-16(14)22/h2-9,11H,10H2,1H3,(H,25,26,29)
InChIKeyCSOPVIHSBNYDBS-UHFFFAOYSA-N
MW433.27 g/mol
LogP4.79
Rot. Bonds5

About N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 162746798) has the molecular formula C20H15Cl2FN4O2 and a molecular weight of 433.27 g/mol. Its IUPAC name is N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID162746798
Molecular FormulaC20H15Cl2FN4O2
Molecular Weight433.27 g/mol
Exact Mass432.06
IUPAC NameN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1ccncc1F
InChIInChI=1S/C20H15Cl2FN4O2/c1-12(28)27(18-6-7-24-11-17(18)23)19-9-13(5-8-25-19)26-20(29)10-14-15(21)3-2-4-16(14)22/h2-9,11H,10H2,1H3,(H,25,26,29)
InChIKeyCSOPVIHSBNYDBS-UHFFFAOYSA-N
XLogP4.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (CID 162746798) is N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is CC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1ccncc1F.
What is the InChIKey of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is CSOPVIHSBNYDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN4O2/c1-12(28)27(18-6-7-24-11-17(18)23)19-9-13(5-8-25-19)26-20(29)10-14-15(21)3-2-4-16(14)22/h2-9,11H,10H2,1H3,(H,25,26,29).
What are the key properties of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 433.27 g/mol, XLogP of 4.79, 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-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 162746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).