4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide

C22H22FN5O2 — CID 154788057

IUPAC4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cccc(NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c1=O
InChIInChI=1S/C22H22FN5O2/c1-27-11-3-6-19(21(27)29)26-22(30)28-12-8-15(9-13-28)20-24-10-7-18(25-20)16-4-2-5-17(23)14-16/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,26,30)
InChIKeyOUMNWOWLOPHAEZ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.39
Rot. Bonds3

About 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide

4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 154788057) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
PubChem CID154788057
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cccc(NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c1=O
InChIInChI=1S/C22H22FN5O2/c1-27-11-3-6-19(21(27)29)26-22(30)28-12-8-15(9-13-28)20-24-10-7-18(25-20)16-4-2-5-17(23)14-16/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,26,30)
InChIKeyOUMNWOWLOPHAEZ-UHFFFAOYSA-N
XLogP3.39
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide (CID 154788057) is 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide is Cn1cccc(NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c1=O.
What is the InChIKey of 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is OUMNWOWLOPHAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-27-11-3-6-19(21(27)29)26-22(30)28-12-8-15(9-13-28)20-24-10-7-18(25-20)16-4-2-5-17(23)14-16/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,26,30).
What are the key properties of 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 154788057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).