1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

C11H14Cl2N4O — CID 79632083

IUPAC1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-14-10(18)8-4-2-3-5-17(8)9-7(12)6-15-11(13)16-9/h6,8H,2-5H2,1H3,(H,14,18)
InChIKeySZIWOIRXKPETBQ-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.89
Rot. Bonds2

About 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 79632083) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
PubChem CID79632083
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-14-10(18)8-4-2-3-5-17(8)9-7(12)6-15-11(13)16-9/h6,8H,2-5H2,1H3,(H,14,18)
InChIKeySZIWOIRXKPETBQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (CID 79632083) is 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nc(Cl)ncc1Cl.
What is the InChIKey of 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is SZIWOIRXKPETBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-14-10(18)8-4-2-3-5-17(8)9-7(12)6-15-11(13)16-9/h6,8H,2-5H2,1H3,(H,14,18).
What are the key properties of 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79632083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).