1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide

C26H28N6O3 — CID 90545350

IUPAC1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3cc(N4CCN(c5ccccc5)CC4)ncn3)CC2=O)c1
InChIInChI=1S/C26H28N6O3/c1-35-22-9-5-8-21(15-22)32-17-19(14-25(32)33)26(34)29-23-16-24(28-18-27-23)31-12-10-30(11-13-31)20-6-3-2-4-7-20/h2-9,15-16,18-19H,10-14,17H2,1H3,(H,27,28,29,34)
InChIKeyYSSDRZCIJSKENK-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 90545350) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID90545350
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3cc(N4CCN(c5ccccc5)CC4)ncn3)CC2=O)c1
InChIInChI=1S/C26H28N6O3/c1-35-22-9-5-8-21(15-22)32-17-19(14-25(32)33)26(34)29-23-16-24(28-18-27-23)31-12-10-30(11-13-31)20-6-3-2-4-7-20/h2-9,15-16,18-19H,10-14,17H2,1H3,(H,27,28,29,34)
InChIKeyYSSDRZCIJSKENK-UHFFFAOYSA-N
XLogP2.80
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethylphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 90545263
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
1-(3-methoxyphenyl)-4-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122349507
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3S)-1-(3,4-dimethylphenyl)-N-(6-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 95985931
1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122318776
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 90545350) is 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3cc(N4CCN(c5ccccc5)CC4)ncn3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is YSSDRZCIJSKENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-35-22-9-5-8-21(15-22)32-17-19(14-25(32)33)26(34)29-23-16-24(28-18-27-23)31-12-10-30(11-13-31)20-6-3-2-4-7-20/h2-9,15-16,18-19H,10-14,17H2,1H3,(H,27,28,29,34).
What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 90545350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).