3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide

C24H27N5O4 — CID 73214082

IUPAC3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide
SMILESCNC(=O)c1ccc(C(C)CNc2cc(-c3ccc(OC4COC4)nc3)ncn2)c(OC)c1
InChIInChI=1S/C24H27N5O4/c1-15(19-6-4-16(24(30)25-2)8-21(19)31-3)10-26-22-9-20(28-14-29-22)17-5-7-23(27-11-17)33-18-12-32-13-18/h4-9,11,14-15,18H,10,12-13H2,1-3H3,(H,25,30)(H,26,28,29)
InChIKeyMNKZNHYILNRFQM-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.90
Rot. Bonds9

About 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide

3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide (PubChem CID 73214082) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide
PubChem CID73214082
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide
SMILESCNC(=O)c1ccc(C(C)CNc2cc(-c3ccc(OC4COC4)nc3)ncn2)c(OC)c1
InChIInChI=1S/C24H27N5O4/c1-15(19-6-4-16(24(30)25-2)8-21(19)31-3)10-26-22-9-20(28-14-29-22)17-5-7-23(27-11-17)33-18-12-32-13-18/h4-9,11,14-15,18H,10,12-13H2,1-3H3,(H,25,30)(H,26,28,29)
InChIKeyMNKZNHYILNRFQM-UHFFFAOYSA-N
XLogP2.90
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide with MolForge

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Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
6-cyclopropyl-N-[4-(2-methoxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548350
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
2-(Methylamino)triazine 59
CID 23646935
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
N-(3-isopropylphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 44440292
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide (CID 73214082) is 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide is CNC(=O)c1ccc(C(C)CNc2cc(-c3ccc(OC4COC4)nc3)ncn2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide?
The InChIKey is MNKZNHYILNRFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15(19-6-4-16(24(30)25-2)8-21(19)31-3)10-26-22-9-20(28-14-29-22)17-5-7-23(27-11-17)33-18-12-32-13-18/h4-9,11,14-15,18H,10,12-13H2,1-3H3,(H,25,30)(H,26,28,29).
What are the key properties of 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide?
3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 73214082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).