5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

C21H21N5O3 — CID 90516890

IUPAC5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)ncn2)cc1
InChIInChI=1S/C21H21N5O3/c1-29-17-5-2-15(3-6-17)18-12-19(24-14-23-18)25-8-10-26(11-9-25)21(28)16-4-7-20(27)22-13-16/h2-7,12-14H,8-11H2,1H3,(H,22,27)
InChIKeyNUXJBUVAZORFAY-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.80
Rot. Bonds4

About 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 90516890) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID90516890
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)ncn2)cc1
InChIInChI=1S/C21H21N5O3/c1-29-17-5-2-15(3-6-17)18-12-19(24-14-23-18)25-8-10-26(11-9-25)21(28)16-4-7-20(27)22-13-16/h2-7,12-14H,8-11H2,1H3,(H,22,27)
InChIKeyNUXJBUVAZORFAY-UHFFFAOYSA-N
XLogP1.80
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
(4-tert-butylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840699
(3,5-dimethylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90516881
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 90517045
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
1H-indol-3-yl-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517017
(6-ethoxypyrimidin-4-yl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121167730
[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl] acetate
CID 108736692
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
(4-butoxyphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121106904
(4-tert-butylphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107033
2-ethyl-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 90516855

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 90516890) is 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)ncn2)cc1.
What is the InChIKey of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NUXJBUVAZORFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-29-17-5-2-15(3-6-17)18-12-19(24-14-23-18)25-8-10-26(11-9-25)21(28)16-4-7-20(27)22-13-16/h2-7,12-14H,8-11H2,1H3,(H,22,27).
What are the key properties of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 391.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 90516890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).