N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H26N4O3 — CID 647071

IUPACN-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C20H26N4O3/c1-3-26-16-8-9-18(27-4-2)17(13-16)23-19(25)15-7-5-12-24(14-15)20-21-10-6-11-22-20/h6,8-11,13,15H,3-5,7,12,14H2,1-2H3,(H,23,25)
InChIKeyCGDRCLPXYJRZTR-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.13
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 647071) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID647071
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C20H26N4O3/c1-3-26-16-8-9-18(27-4-2)17(13-16)23-19(25)15-7-5-12-24(14-15)20-21-10-6-11-22-20/h6,8-11,13,15H,3-5,7,12,14H2,1-2H3,(H,23,25)
InChIKeyCGDRCLPXYJRZTR-UHFFFAOYSA-N
XLogP3.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 647071) is N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is CGDRCLPXYJRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-26-16-8-9-18(27-4-2)17(13-16)23-19(25)15-7-5-12-24(14-15)20-21-10-6-11-22-20/h6,8-11,13,15H,3-5,7,12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 647071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).