2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide

C22H30N6O — CID 110263829

IUPAC2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide
SMILESNc1ncc(-c2ccc(C3CCCN(CC(=O)NC4CCCCC4)C3)nc2)cn1
InChIInChI=1S/C22H30N6O/c23-22-25-12-18(13-26-22)16-8-9-20(24-11-16)17-5-4-10-28(14-17)15-21(29)27-19-6-2-1-3-7-19/h8-9,11-13,17,19H,1-7,10,14-15H2,(H,27,29)(H2,23,25,26)
InChIKeyAABKYHKGNYSDMO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.75
Rot. Bonds5

About 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide

2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide (PubChem CID 110263829) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide
PubChem CID110263829
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide
SMILESNc1ncc(-c2ccc(C3CCCN(CC(=O)NC4CCCCC4)C3)nc2)cn1
InChIInChI=1S/C22H30N6O/c23-22-25-12-18(13-26-22)16-8-9-20(24-11-16)17-5-4-10-28(14-17)15-21(29)27-19-6-2-1-3-7-19/h8-9,11-13,17,19H,1-7,10,14-15H2,(H,27,29)(H2,23,25,26)
InChIKeyAABKYHKGNYSDMO-UHFFFAOYSA-N
XLogP2.75
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide (CID 110263829) is 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide is Nc1ncc(-c2ccc(C3CCCN(CC(=O)NC4CCCCC4)C3)nc2)cn1.
What is the InChIKey of 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide?
The InChIKey is AABKYHKGNYSDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c23-22-25-12-18(13-26-22)16-8-9-20(24-11-16)17-5-4-10-28(14-17)15-21(29)27-19-6-2-1-3-7-19/h8-9,11-13,17,19H,1-7,10,14-15H2,(H,27,29)(H2,23,25,26).
What are the key properties of 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide?
2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 110263829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).