1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide

C10H12ClFN4O — CID 79080631

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C10H12ClFN4O/c11-10-14-5-6(12)9(15-10)16-4-2-1-3-7(16)8(13)17/h5,7H,1-4H2,(H2,13,17)
InChIKeyCDBCULIPUVGUSP-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.11
Rot. Bonds2

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

1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 79080631) has the molecular formula C10H12ClFN4O and a molecular weight of 258.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID79080631
Molecular FormulaC10H12ClFN4O
Molecular Weight258.68 g/mol
Exact Mass258.07
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C10H12ClFN4O/c11-10-14-5-6(12)9(15-10)16-4-2-1-3-7(16)8(13)17/h5,7H,1-4H2,(H2,13,17)
InChIKeyCDBCULIPUVGUSP-UHFFFAOYSA-N
XLogP1.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.11
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)piperidine-2-carboxamide?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide (CID 79080631) is 1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide is NC(=O)C1CCCCN1c1nc(Cl)ncc1F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is CDBCULIPUVGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN4O/c11-10-14-5-6(12)9(15-10)16-4-2-1-3-7(16)8(13)17/h5,7H,1-4H2,(H2,13,17).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide?
1-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 258.68 g/mol, XLogP of 1.11, 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)piperidine-2-carboxamide is sourced from PubChem (CID 79080631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).