N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide

C21H19FN4O2 — CID 113035220

IUPACN-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C21H19FN4O2/c1-14(27)24-17-5-7-18(8-6-17)25-19-9-10-20(23-13-19)26-21(28)12-15-3-2-4-16(22)11-15/h2-11,13,25H,12H2,1H3,(H,24,27)(H,23,26,28)
InChIKeyMDXOAARACXYEMC-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.10
Rot. Bonds6

About N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide

N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113035220) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
PubChem CID113035220
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C21H19FN4O2/c1-14(27)24-17-5-7-18(8-6-17)25-19-9-10-20(23-13-19)26-21(28)12-15-3-2-4-16(22)11-15/h2-11,13,25H,12H2,1H3,(H,24,27)(H,23,26,28)
InChIKeyMDXOAARACXYEMC-UHFFFAOYSA-N
XLogP4.10
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032051
2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023879
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027442
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
2-(3-fluorophenyl)-N-[5-(N-methylanilino)-2-pyridinyl]acetamide
CID 113031689
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113010094
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide (CID 113035220) is N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)nc2)cc1.
What is the InChIKey of N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MDXOAARACXYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14(27)24-17-5-7-18(8-6-17)25-19-9-10-20(23-13-19)26-21(28)12-15-3-2-4-16(22)11-15/h2-11,13,25H,12H2,1H3,(H,24,27)(H,23,26,28).
What are the key properties of N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide?
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 378.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113035220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).