5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine

C14H15ClFN5O — CID 164559797

IUPAC5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine
SMILESCNc1ncc(O/C(=C/N)c2ccc(F)cn2)c(Cl)c1NC
InChIInChI=1S/C14H15ClFN5O/c1-18-13-12(15)11(7-21-14(13)19-2)22-10(5-17)9-4-3-8(16)6-20-9/h3-7,18H,17H2,1-2H3,(H,19,21)/b10-5+
InChIKeyMWETZSFYQWNVEZ-BJMVGYQFSA-N
MW323.76 g/mol
LogP2.69
Rot. Bonds5

About 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine

5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine (PubChem CID 164559797) has the molecular formula C14H15ClFN5O and a molecular weight of 323.76 g/mol. Its IUPAC name is 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine
PubChem CID164559797
Molecular FormulaC14H15ClFN5O
Molecular Weight323.76 g/mol
Exact Mass323.09
IUPAC Name5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine
SMILESCNc1ncc(O/C(=C/N)c2ccc(F)cn2)c(Cl)c1NC
InChIInChI=1S/C14H15ClFN5O/c1-18-13-12(15)11(7-21-14(13)19-2)22-10(5-17)9-4-3-8(16)6-20-9/h3-7,18H,17H2,1-2H3,(H,19,21)/b10-5+
InChIKeyMWETZSFYQWNVEZ-BJMVGYQFSA-N
XLogP2.69
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine (CID 164559797) is 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine is CNc1ncc(O/C(=C/N)c2ccc(F)cn2)c(Cl)c1NC.
What is the InChIKey of 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine?
The InChIKey is MWETZSFYQWNVEZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H15ClFN5O/c1-18-13-12(15)11(7-21-14(13)19-2)22-10(5-17)9-4-3-8(16)6-20-9/h3-7,18H,17H2,1-2H3,(H,19,21)/b10-5+.
What are the key properties of 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine?
5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine has a molecular weight of 323.76 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-amino-1-(5-fluoro-2-pyridinyl)ethenoxy]-4-chloro-2-N,3-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 164559797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).