N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C25H26ClN5O — CID 22353283

IUPACN-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C25H26ClN5O/c26-22-18-23(29-25(27-22)21-11-5-2-6-12-21)28-24(32)19-31-16-14-30(15-17-31)13-7-10-20-8-3-1-4-9-20/h1-12,18H,13-17,19H2,(H,27,28,29,32)/b10-7+
InChIKeyMPCLGHMERMVVAX-JXMROGBWSA-N
MW447.97 g/mol
LogP4.07
Rot. Bonds7

About N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 22353283) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID22353283
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC NameN-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C25H26ClN5O/c26-22-18-23(29-25(27-22)21-11-5-2-6-12-21)28-24(32)19-31-16-14-30(15-17-31)13-7-10-20-8-3-1-4-9-20/h1-12,18H,13-17,19H2,(H,27,28,29,32)/b10-7+
InChIKeyMPCLGHMERMVVAX-JXMROGBWSA-N
XLogP4.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
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CID 8544886
4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
CID 4834495
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 17148936
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 9347048
N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 22353283) is N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is MPCLGHMERMVVAX-JXMROGBWSA-N. The full InChI is InChI=1S/C25H26ClN5O/c26-22-18-23(29-25(27-22)21-11-5-2-6-12-21)28-24(32)19-31-16-14-30(15-17-31)13-7-10-20-8-3-1-4-9-20/h1-12,18H,13-17,19H2,(H,27,28,29,32)/b10-7+.
What are the key properties of N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 447.97 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22353283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).