1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C12H17ClN4O — CID 55228922

IUPAC1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncnc(Cl)c2C)CC1
InChIInChI=1S/C12H17ClN4O/c1-8-10(13)15-7-16-11(8)17-5-3-9(4-6-17)12(18)14-2/h7,9H,3-6H2,1-2H3,(H,14,18)
InChIKeyKKJJRQBZSCQQBW-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.40
Rot. Bonds2

About 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 55228922) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID55228922
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncnc(Cl)c2C)CC1
InChIInChI=1S/C12H17ClN4O/c1-8-10(13)15-7-16-11(8)17-5-3-9(4-6-17)12(18)14-2/h7,9H,3-6H2,1-2H3,(H,14,18)
InChIKeyKKJJRQBZSCQQBW-UHFFFAOYSA-N
XLogP1.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.40
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-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 55228922) is 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ncnc(Cl)c2C)CC1.
What is the InChIKey of 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KKJJRQBZSCQQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-8-10(13)15-7-16-11(8)17-5-3-9(4-6-17)12(18)14-2/h7,9H,3-6H2,1-2H3,(H,14,18).
What are the key properties of 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55228922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).