N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide

C20H25Cl2N5O2 — CID 24816077

IUPACN-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCOc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C20H25Cl2N5O2/c1-13(28)24-16-6-9-27(10-7-16)19-12-18(25-20(26-19)29-2)23-8-5-14-3-4-15(21)11-17(14)22/h3-4,11-12,16H,5-10H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyRLKLTDOTIXEKFE-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.55
Rot. Bonds7

About N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide

N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 24816077) has the molecular formula C20H25Cl2N5O2 and a molecular weight of 438.36 g/mol. Its IUPAC name is N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID24816077
Molecular FormulaC20H25Cl2N5O2
Molecular Weight438.36 g/mol
Exact Mass437.14
IUPAC NameN-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCOc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C20H25Cl2N5O2/c1-13(28)24-16-6-9-27(10-7-16)19-12-18(25-20(26-19)29-2)23-8-5-14-3-4-15(21)11-17(14)22/h3-4,11-12,16H,5-10H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyRLKLTDOTIXEKFE-UHFFFAOYSA-N
XLogP3.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide (CID 24816077) is N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide is COc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCC(NC(C)=O)CC2)n1.
What is the InChIKey of N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is RLKLTDOTIXEKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O2/c1-13(28)24-16-6-9-27(10-7-16)19-12-18(25-20(26-19)29-2)23-8-5-14-3-4-15(21)11-17(14)22/h3-4,11-12,16H,5-10H2,1-2H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 438.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 24816077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).