1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

C18H23N5O — CID 95823793

IUPAC1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C18H23N5O/c1-2-17(24)23-11-6-14(7-12-23)13-15-18(21-10-9-19-15)22-16-5-3-4-8-20-16/h3-5,8-10,14H,2,6-7,11-13H2,1H3,(H,20,21,22)
InChIKeyGZFVMDHJDGWVFF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.81
Rot. Bonds5

About 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 95823793) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID95823793
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C18H23N5O/c1-2-17(24)23-11-6-14(7-12-23)13-15-18(21-10-9-19-15)22-16-5-3-4-8-20-16/h3-5,8-10,14H,2,6-7,11-13H2,1H3,(H,20,21,22)
InChIKeyGZFVMDHJDGWVFF-UHFFFAOYSA-N
XLogP2.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (CID 95823793) is 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cc2nccnc2Nc2ccccn2)CC1.
What is the InChIKey of 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is GZFVMDHJDGWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-17(24)23-11-6-14(7-12-23)13-15-18(21-10-9-19-15)22-16-5-3-4-8-20-16/h3-5,8-10,14H,2,6-7,11-13H2,1H3,(H,20,21,22).
What are the key properties of 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 325.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95823793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).