2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide

C16H17F2N3O2 — CID 66843381

IUPAC2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCOc1cccc(CNC(=O)c2ccc(F)nc2N)c1F
InChIInChI=1S/C16H17F2N3O2/c1-2-8-23-12-5-3-4-10(14(12)18)9-20-16(22)11-6-7-13(17)21-15(11)19/h3-7H,2,8-9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyMESALIRUAZHGPI-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.66
Rot. Bonds6

About 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide

2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 66843381) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID66843381
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCOc1cccc(CNC(=O)c2ccc(F)nc2N)c1F
InChIInChI=1S/C16H17F2N3O2/c1-2-8-23-12-5-3-4-10(14(12)18)9-20-16(22)11-6-7-13(17)21-15(11)19/h3-7H,2,8-9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyMESALIRUAZHGPI-UHFFFAOYSA-N
XLogP2.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide (CID 66843381) is 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide is CCCOc1cccc(CNC(=O)c2ccc(F)nc2N)c1F.
What is the InChIKey of 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is MESALIRUAZHGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-2-8-23-12-5-3-4-10(14(12)18)9-20-16(22)11-6-7-13(17)21-15(11)19/h3-7H,2,8-9H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).