1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide

C12H17ClN4O — CID 55228926

IUPAC1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide
SMILESCCc1c(Cl)ncnc1N1CCCCC1C(N)=O
InChIInChI=1S/C12H17ClN4O/c1-2-8-10(13)15-7-16-12(8)17-6-4-3-5-9(17)11(14)18/h7,9H,2-6H2,1H3,(H2,14,18)
InChIKeyUHQJVAILFQWMTD-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.54
Rot. Bonds3

About 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide

1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 55228926) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID55228926
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide
SMILESCCc1c(Cl)ncnc1N1CCCCC1C(N)=O
InChIInChI=1S/C12H17ClN4O/c1-2-8-10(13)15-7-16-12(8)17-6-4-3-5-9(17)11(14)18/h7,9H,2-6H2,1H3,(H2,14,18)
InChIKeyUHQJVAILFQWMTD-UHFFFAOYSA-N
XLogP1.54
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide (CID 55228926) is 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide is CCc1c(Cl)ncnc1N1CCCCC1C(N)=O.
What is the InChIKey of 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is UHQJVAILFQWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-8-10(13)15-7-16-12(8)17-6-4-3-5-9(17)11(14)18/h7,9H,2-6H2,1H3,(H2,14,18).
What are the key properties of 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide?
1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-ethylpyrimidin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 55228926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).