3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide

C32H35N5O3 — CID 58396554

IUPAC3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCCc1nccc(-c2cc(N3CCOCC3)cnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1
InChIInChI=1S/C32H35N5O3/c1-5-30-33-12-11-28(36-30)27-19-26(37-13-15-39-16-14-37)20-34-32(27)40-29-18-24(10-9-22(29)4)31(38)35-25-8-6-7-23(17-25)21(2)3/h6-12,17-21H,5,13-16H2,1-4H3,(H,35,38)
InChIKeyYBAVVOULMRDPEG-UHFFFAOYSA-N
MW537.66 g/mol
LogP6.41
Rot. Bonds8

About 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide

3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 58396554) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide
PubChem CID58396554
Molecular FormulaC32H35N5O3
Molecular Weight537.66 g/mol
Exact Mass537.27
IUPAC Name3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCCc1nccc(-c2cc(N3CCOCC3)cnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1
InChIInChI=1S/C32H35N5O3/c1-5-30-33-12-11-28(36-30)27-19-26(37-13-15-39-16-14-37)20-34-32(27)40-29-18-24(10-9-22(29)4)31(38)35-25-8-6-7-23(17-25)21(2)3/h6-12,17-21H,5,13-16H2,1-4H3,(H,35,38)
InChIKeyYBAVVOULMRDPEG-UHFFFAOYSA-N
XLogP6.41
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide (CID 58396554) is 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide is CCc1nccc(-c2cc(N3CCOCC3)cnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1.
What is the InChIKey of 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is YBAVVOULMRDPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-5-30-33-12-11-28(36-30)27-19-26(37-13-15-39-16-14-37)20-34-32(27)40-29-18-24(10-9-22(29)4)31(38)35-25-8-6-7-23(17-25)21(2)3/h6-12,17-21H,5,13-16H2,1-4H3,(H,35,38).
What are the key properties of 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 537.66 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethylpyrimidin-4-yl)-5-morpholin-4-yl-2-pyridinyl]oxy]-4-methyl-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 58396554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).