1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C11H14ClFN4O — CID 79080723

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Cl)ncc2F)CC1
InChIInChI=1S/C11H14ClFN4O/c1-14-10(18)7-2-4-17(5-3-7)9-8(13)6-15-11(12)16-9/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyAZMHXLIEPHCDRN-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.23
Rot. Bonds2

About 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 79080723) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID79080723
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Cl)ncc2F)CC1
InChIInChI=1S/C11H14ClFN4O/c1-14-10(18)7-2-4-17(5-3-7)9-8(13)6-15-11(12)16-9/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyAZMHXLIEPHCDRN-UHFFFAOYSA-N
XLogP1.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 79080723) is 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(Cl)ncc2F)CC1.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is AZMHXLIEPHCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN4O/c1-14-10(18)7-2-4-17(5-3-7)9-8(13)6-15-11(12)16-9/h6-7H,2-5H2,1H3,(H,14,18).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 79080723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).