2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide

C19H19FN6O2 — CID 170602709

IUPAC2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide
SMILESC/N=C(\C(=O)Nc1ccn(C)n1)c1cc(OCc2cccnc2F)ccc1N
InChIInChI=1S/C19H19FN6O2/c1-22-17(19(27)24-16-7-9-26(2)25-16)14-10-13(5-6-15(14)21)28-11-12-4-3-8-23-18(12)20/h3-10H,11,21H2,1-2H3,(H,24,25,27)/b22-17-
InChIKeyGBQXMIXKLZDCJD-XLNRJJMWSA-N
MW382.40 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide

2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 170602709) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID170602709
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide
SMILESC/N=C(\C(=O)Nc1ccn(C)n1)c1cc(OCc2cccnc2F)ccc1N
InChIInChI=1S/C19H19FN6O2/c1-22-17(19(27)24-16-7-9-26(2)25-16)14-10-13(5-6-15(14)21)28-11-12-4-3-8-23-18(12)20/h3-10H,11,21H2,1-2H3,(H,24,25,27)/b22-17-
InChIKeyGBQXMIXKLZDCJD-XLNRJJMWSA-N
XLogP2.17
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide (CID 170602709) is 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide is C/N=C(\C(=O)Nc1ccn(C)n1)c1cc(OCc2cccnc2F)ccc1N.
What is the InChIKey of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GBQXMIXKLZDCJD-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-22-17(19(27)24-16-7-9-26(2)25-16)14-10-13(5-6-15(14)21)28-11-12-4-3-8-23-18(12)20/h3-10H,11,21H2,1-2H3,(H,24,25,27)/b22-17-.
What are the key properties of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide?
2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 382.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 170602709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).