pyridin-4-amine

C5H6N2 — CID 1727

IUPACpyridin-4-amine
SMILESNc1ccncc1
InChIInChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
InChIKeyNUKYPUAOHBNCPY-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.66
Rot. Bonds

About pyridin-4-amine

pyridin-4-amine (PubChem CID 1727) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is pyridin-4-amine.

Molecular Properties

Compound Namepyridin-4-amine
PubChem CID1727
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Namepyridin-4-amine
SMILESNc1ccncc1
InChIInChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
InChIKeyNUKYPUAOHBNCPY-UHFFFAOYSA-N
XLogP0.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridine
CID 1049
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
2-Aminopyridine
CID 10439
2-Methylpyridine
CID 7975
3,4-Diaminopyridine
CID 5918
2-Vinylpyridine
CID 7521
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
Pyridine N-Oxide
CID 12753

Frequently Asked Questions

What is the IUPAC name of pyridin-4-amine?
The IUPAC name of pyridin-4-amine (CID 1727) is pyridin-4-amine.
What is the SMILES notation for pyridin-4-amine?
The canonical SMILES for pyridin-4-amine is Nc1ccncc1.
What is the InChIKey of pyridin-4-amine?
The InChIKey is NUKYPUAOHBNCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7).
What are the key properties of pyridin-4-amine?
pyridin-4-amine has a molecular weight of 94.12 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-amine is sourced from PubChem (CID 1727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).