3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine

C17H15ClFN5 — CID 141271572

IUPAC3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESCC(Nc1nc(Nc2cnccn2)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN5/c1-11(12-2-4-13(19)5-3-12)22-17-14(18)6-7-15(24-17)23-16-10-20-8-9-21-16/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyNPULMSFLLIAWOD-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.58
Rot. Bonds5

About 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine

3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 141271572) has the molecular formula C17H15ClFN5 and a molecular weight of 343.79 g/mol. Its IUPAC name is 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID141271572
Molecular FormulaC17H15ClFN5
Molecular Weight343.79 g/mol
Exact Mass343.10
IUPAC Name3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESCC(Nc1nc(Nc2cnccn2)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN5/c1-11(12-2-4-13(19)5-3-12)22-17-14(18)6-7-15(24-17)23-16-10-20-8-9-21-16/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyNPULMSFLLIAWOD-UHFFFAOYSA-N
XLogP4.58
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine (CID 141271572) is 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine is CC(Nc1nc(Nc2cnccn2)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is NPULMSFLLIAWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5/c1-11(12-2-4-13(19)5-3-12)22-17-14(18)6-7-15(24-17)23-16-10-20-8-9-21-16/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine?
3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 343.79 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 141271572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).