N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide

C23H24ClN5O2 — CID 156865990

IUPACN-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C23H24ClN5O2/c1-31-15-22(30)26-19-8-11-29(12-9-19)21-13-20(16-4-6-18(24)7-5-16)27-23(28-21)17-3-2-10-25-14-17/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,26,30)
InChIKeyWQYBWFCEDPICPF-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.59
Rot. Bonds6

About N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide

N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide (PubChem CID 156865990) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide
PubChem CID156865990
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C23H24ClN5O2/c1-31-15-22(30)26-19-8-11-29(12-9-19)21-13-20(16-4-6-18(24)7-5-16)27-23(28-21)17-3-2-10-25-14-17/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,26,30)
InChIKeyWQYBWFCEDPICPF-UHFFFAOYSA-N
XLogP3.59
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide (CID 156865990) is N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is WQYBWFCEDPICPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-31-15-22(30)26-19-8-11-29(12-9-19)21-13-20(16-4-6-18(24)7-5-16)27-23(28-21)17-3-2-10-25-14-17/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,26,30).
What are the key properties of N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide?
N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 437.93 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 156865990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).