1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide

C11H13ClN4O2 — CID 66336044

IUPAC1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(Cl)c2C=O)CC1
InChIInChI=1S/C11H13ClN4O2/c12-9-8(5-17)11(15-6-14-9)16-3-1-7(2-4-16)10(13)18/h5-7H,1-4H2,(H2,13,18)
InChIKeyGPUFTAOWPKUMTL-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.64
Rot. Bonds3

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

1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 66336044) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID66336044
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(Cl)c2C=O)CC1
InChIInChI=1S/C11H13ClN4O2/c12-9-8(5-17)11(15-6-14-9)16-3-1-7(2-4-16)10(13)18/h5-7H,1-4H2,(H2,13,18)
InChIKeyGPUFTAOWPKUMTL-UHFFFAOYSA-N
XLogP0.64
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide (CID 66336044) is 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc(Cl)c2C=O)CC1.
What is the InChIKey of 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GPUFTAOWPKUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c12-9-8(5-17)11(15-6-14-9)16-3-1-7(2-4-16)10(13)18/h5-7H,1-4H2,(H2,13,18).
What are the key properties of 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide?
1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 268.70 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 66336044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).