2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide

C29H30N6O — CID 46231494

IUPAC2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C29H30N6O/c1-22(21-34-15-17-35(18-16-34)29-30-13-8-14-31-29)32-28(36)25-19-26(23-9-4-2-5-10-23)33-27(20-25)24-11-6-3-7-12-24/h2-14,19-20,22H,15-18,21H2,1H3,(H,32,36)
InChIKeyZOPDDGXLIPKBAL-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.15
Rot. Bonds7

About 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide

2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 46231494) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide
PubChem CID46231494
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C29H30N6O/c1-22(21-34-15-17-35(18-16-34)29-30-13-8-14-31-29)32-28(36)25-19-26(23-9-4-2-5-10-23)33-27(20-25)24-11-6-3-7-12-24/h2-14,19-20,22H,15-18,21H2,1H3,(H,32,36)
InChIKeyZOPDDGXLIPKBAL-UHFFFAOYSA-N
XLogP4.15
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide (CID 46231494) is 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide is CC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is ZOPDDGXLIPKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-22(21-34-15-17-35(18-16-34)29-30-13-8-14-31-29)32-28(36)25-19-26(23-9-4-2-5-10-23)33-27(20-25)24-11-6-3-7-12-24/h2-14,19-20,22H,15-18,21H2,1H3,(H,32,36).
What are the key properties of 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide?
2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 46231494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).