N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide

C24H29N7O2 — CID 69092879

IUPACN-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3cnn(CC(=O)N4CCCCC4)c3)ncc2C)cc1
InChIInChI=1S/C24H29N7O2/c1-3-25-23(33)19-9-7-18(8-10-19)22-17(2)13-26-24(29-22)28-20-14-27-31(15-20)16-21(32)30-11-5-4-6-12-30/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,25,33)(H,26,28,29)
InChIKeyGDNNZJSIFJFNIV-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide

N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide (PubChem CID 69092879) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
PubChem CID69092879
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3cnn(CC(=O)N4CCCCC4)c3)ncc2C)cc1
InChIInChI=1S/C24H29N7O2/c1-3-25-23(33)19-9-7-18(8-10-19)22-17(2)13-26-24(29-22)28-20-14-27-31(15-20)16-21(32)30-11-5-4-6-12-30/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,25,33)(H,26,28,29)
InChIKeyGDNNZJSIFJFNIV-UHFFFAOYSA-N
XLogP3.15
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide?
The IUPAC name of N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide (CID 69092879) is N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide is CCNC(=O)c1ccc(-c2nc(Nc3cnn(CC(=O)N4CCCCC4)c3)ncc2C)cc1.
What is the InChIKey of N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide?
The InChIKey is GDNNZJSIFJFNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-3-25-23(33)19-9-7-18(8-10-19)22-17(2)13-26-24(29-22)28-20-14-27-31(15-20)16-21(32)30-11-5-4-6-12-30/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,25,33)(H,26,28,29).
What are the key properties of N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide?
N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 69092879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).