2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide

C12H11FN4O — CID 114052733

IUPAC2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(F)nc2)nc1
InChIInChI=1S/C12H11FN4O/c13-11-4-3-10(7-16-11)17-12(18)5-9-2-1-8(14)6-15-9/h1-4,6-7H,5,14H2,(H,17,18)
InChIKeyOZLQOPHAFLXKCS-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.38
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide

2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide (PubChem CID 114052733) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
PubChem CID114052733
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(F)nc2)nc1
InChIInChI=1S/C12H11FN4O/c13-11-4-3-10(7-16-11)17-12(18)5-9-2-1-8(14)6-15-9/h1-4,6-7H,5,14H2,(H,17,18)
InChIKeyOZLQOPHAFLXKCS-UHFFFAOYSA-N
XLogP1.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
CID 107338694
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-(5-amino-2-pyridinyl)-N-(3,5-dimethoxyphenyl)acetamide
CID 107337401
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
2-(5-amino-2-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 107337459

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide (CID 114052733) is 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide is Nc1ccc(CC(=O)Nc2ccc(F)nc2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide?
The InChIKey is OZLQOPHAFLXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-11-4-3-10(7-16-11)17-12(18)5-9-2-1-8(14)6-15-9/h1-4,6-7H,5,14H2,(H,17,18).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide has a molecular weight of 246.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 114052733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).