N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide

C22H29N5O2 — CID 143172396

IUPACN-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C(/C=C/c3ccccc3)COC)CC2)nc1
InChIInChI=1S/C22H29N5O2/c1-3-23-21(28)19-15-24-22(25-16-19)27-13-11-26(12-14-27)20(17-29-2)10-9-18-7-5-4-6-8-18/h4-10,15-16,20H,3,11-14,17H2,1-2H3,(H,23,28)/b10-9+
InChIKeyCFOPDVGPXFOALA-MDZDMXLPSA-N
MW395.51 g/mol
LogP2.08
Rot. Bonds8

About N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide

N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 143172396) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID143172396
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C(/C=C/c3ccccc3)COC)CC2)nc1
InChIInChI=1S/C22H29N5O2/c1-3-23-21(28)19-15-24-22(25-16-19)27-13-11-26(12-14-27)20(17-29-2)10-9-18-7-5-4-6-8-18/h4-10,15-16,20H,3,11-14,17H2,1-2H3,(H,23,28)/b10-9+
InChIKeyCFOPDVGPXFOALA-MDZDMXLPSA-N
XLogP2.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

S-ethyl 2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carbothioate
CID 143172385
2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 58896212
N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine
CID 143172366
ethyl 2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450434
ethyl 2-[4-[(E)-1-morpholin-4-yl-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450444
2-[4-(1-hydroxy-4-phenylbut-3-en-2-yl)piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 76789333
2-[4-[(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 46225969
2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58896200
(E)-7-hydroxy-3-[4-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperazin-1-yl]-1-phenylhept-1-en-4-one
CID 58450438
2-[4-[4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 76789353
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109254161

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (CID 143172396) is N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is CCNC(=O)c1cnc(N2CCN(C(/C=C/c3ccccc3)COC)CC2)nc1.
What is the InChIKey of N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is CFOPDVGPXFOALA-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-3-23-21(28)19-15-24-22(25-16-19)27-13-11-26(12-14-27)20(17-29-2)10-9-18-7-5-4-6-8-18/h4-10,15-16,20H,3,11-14,17H2,1-2H3,(H,23,28)/b10-9+.
What are the key properties of N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 143172396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).