1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

C13H19ClN4O — CID 55229121

IUPAC1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCCc1c(Cl)ncnc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C13H19ClN4O/c1-3-10-11(14)16-7-17-13(10)18-6-9(12(15)19)5-4-8(18)2/h7-9H,3-6H2,1-2H3,(H2,15,19)
InChIKeyWPSZCEUUTHYDRS-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.78
Rot. Bonds3

About 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 55229121) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
PubChem CID55229121
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCCc1c(Cl)ncnc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C13H19ClN4O/c1-3-10-11(14)16-7-17-13(10)18-6-9(12(15)19)5-4-8(18)2/h7-9H,3-6H2,1-2H3,(H2,15,19)
InChIKeyWPSZCEUUTHYDRS-UHFFFAOYSA-N
XLogP1.78
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.78
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)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (CID 55229121) is 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is CCc1c(Cl)ncnc1N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is WPSZCEUUTHYDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-3-10-11(14)16-7-17-13(10)18-6-9(12(15)19)5-4-8(18)2/h7-9H,3-6H2,1-2H3,(H2,15,19).
What are the key properties of 1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.78, 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)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55229121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).