pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H15N5O — CID 584238

IUPACpyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccnc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15N5O/c20-13(12-3-1-4-15-11-12)18-7-9-19(10-8-18)14-16-5-2-6-17-14/h1-6,11H,7-10H2
InChIKeyFJRDQTCABLDDQW-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.83
Rot. Bonds2

About pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 584238) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID584238
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Namepyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccnc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15N5O/c20-13(12-3-1-4-15-11-12)18-7-9-19(10-8-18)14-16-5-2-6-17-14/h1-6,11H,7-10H2
InChIKeyFJRDQTCABLDDQW-UHFFFAOYSA-N
XLogP0.83
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 584238) is pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cccnc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FJRDQTCABLDDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-13(12-3-1-4-15-11-12)18-7-9-19(10-8-18)14-16-5-2-6-17-14/h1-6,11H,7-10H2.
What are the key properties of pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 269.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 584238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).