2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol

C18H25N5O2 — CID 110256886

IUPAC2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCCC(Cc2cnc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C18H25N5O2/c24-12-16(13-25)23-7-3-4-14(11-23)8-15-9-21-18(10-20-15)22-17-5-1-2-6-19-17/h1-2,5-6,9-10,14,16,24-25H,3-4,7-8,11-13H2,(H,19,21,22)
InChIKeyNACYMKGVNGZGHN-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.22
Rot. Bonds7

About 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol

2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol (PubChem CID 110256886) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol
PubChem CID110256886
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCCC(Cc2cnc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C18H25N5O2/c24-12-16(13-25)23-7-3-4-14(11-23)8-15-9-21-18(10-20-15)22-17-5-1-2-6-19-17/h1-2,5-6,9-10,14,16,24-25H,3-4,7-8,11-13H2,(H,19,21,22)
InChIKeyNACYMKGVNGZGHN-UHFFFAOYSA-N
XLogP1.22
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol (CID 110256886) is 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol is OCC(CO)N1CCCC(Cc2cnc(Nc3ccccn3)cn2)C1.
What is the InChIKey of 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol?
The InChIKey is NACYMKGVNGZGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-12-16(13-25)23-7-3-4-14(11-23)8-15-9-21-18(10-20-15)22-17-5-1-2-6-19-17/h1-2,5-6,9-10,14,16,24-25H,3-4,7-8,11-13H2,(H,19,21,22).
What are the key properties of 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol?
2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol has a molecular weight of 343.43 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 110256886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).