N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide

C15H16FN3O2 — CID 167435388

IUPACN-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(OCc2ccccc2C)c(F)cc1N
InChIInChI=1S/C15H16FN3O2/c1-9-5-3-4-6-11(9)8-21-15-12(16)7-13(17)14(19-15)18-10(2)20/h3-7H,8,17H2,1-2H3,(H,18,19,20)
InChIKeyVSMBZRPKSXRPNM-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.65
Rot. Bonds4

About N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide

N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide (PubChem CID 167435388) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
PubChem CID167435388
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(OCc2ccccc2C)c(F)cc1N
InChIInChI=1S/C15H16FN3O2/c1-9-5-3-4-6-11(9)8-21-15-12(16)7-13(17)14(19-15)18-10(2)20/h3-7H,8,17H2,1-2H3,(H,18,19,20)
InChIKeyVSMBZRPKSXRPNM-UHFFFAOYSA-N
XLogP2.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide (CID 167435388) is N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide is CC(=O)Nc1nc(OCc2ccccc2C)c(F)cc1N.
What is the InChIKey of N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide?
The InChIKey is VSMBZRPKSXRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-5-3-4-6-11(9)8-21-15-12(16)7-13(17)14(19-15)18-10(2)20/h3-7H,8,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide?
N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-fluoro-6-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 167435388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).