1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

C22H27N5O4 — CID 55705430

IUPAC1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCN(c4ncccn4)CC3)CC2=O)c(OC)c1
InChIInChI=1S/C22H27N5O4/c1-30-17-4-5-18(19(13-17)31-2)27-14-15(12-20(27)28)21(29)25-16-6-10-26(11-7-16)22-23-8-3-9-24-22/h3-5,8-9,13,15-16H,6-7,10-12,14H2,1-2H3,(H,25,29)
InChIKeyRQPHFLHKUPVLDV-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.63
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 55705430) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID55705430
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCN(c4ncccn4)CC3)CC2=O)c(OC)c1
InChIInChI=1S/C22H27N5O4/c1-30-17-4-5-18(19(13-17)31-2)27-14-15(12-20(27)28)21(29)25-16-6-10-26(11-7-16)22-23-8-3-9-24-22/h3-5,8-9,13,15-16H,6-7,10-12,14H2,1-2H3,(H,25,29)
InChIKeyRQPHFLHKUPVLDV-UHFFFAOYSA-N
XLogP1.63
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 24625418
(3R)-1-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351533
(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 29130710
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 55705430) is 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC3CCN(c4ncccn4)CC3)CC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is RQPHFLHKUPVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-30-17-4-5-18(19(13-17)31-2)27-14-15(12-20(27)28)21(29)25-16-6-10-26(11-7-16)22-23-8-3-9-24-22/h3-5,8-9,13,15-16H,6-7,10-12,14H2,1-2H3,(H,25,29).
What are the key properties of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55705430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).