4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide

C21H19F2N5O — CID 46209417

IUPAC4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(c2nccc(-c3cccc(F)c3F)n2)CC1
InChIInChI=1S/C21H19F2N5O/c22-17-5-1-4-16(19(17)23)18-6-10-25-20(27-18)14-7-11-28(12-8-14)21(29)26-15-3-2-9-24-13-15/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,29)
InChIKeyTVOSNYQSMSCVMU-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.23
Rot. Bonds3

About 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide

4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 46209417) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID46209417
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(c2nccc(-c3cccc(F)c3F)n2)CC1
InChIInChI=1S/C21H19F2N5O/c22-17-5-1-4-16(19(17)23)18-6-10-25-20(27-18)14-7-11-28(12-8-14)21(29)26-15-3-2-9-24-13-15/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,29)
InChIKeyTVOSNYQSMSCVMU-UHFFFAOYSA-N
XLogP4.23
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide (CID 46209417) is 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnc1)N1CCC(c2nccc(-c3cccc(F)c3F)n2)CC1.
What is the InChIKey of 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is TVOSNYQSMSCVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-17-5-1-4-16(19(17)23)18-6-10-25-20(27-18)14-7-11-28(12-8-14)21(29)26-15-3-2-9-24-13-15/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,29).
What are the key properties of 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46209417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).