N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide

C26H25N5O2 — CID 58588466

IUPACN-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide
SMILESCNc1nccc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(C)C)c3)c2)n1
InChIInChI=1S/C26H25N5O2/c1-17(2)18-7-4-8-19(15-18)24(32)30-20-9-5-10-21(16-20)33-25-22(11-6-13-28-25)23-12-14-29-26(27-3)31-23/h4-17H,1-3H3,(H,30,32)(H,27,29,31)
InChIKeyDKDCVZIUCUDYCS-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.75
Rot. Bonds7

About N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide

N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide (PubChem CID 58588466) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide
PubChem CID58588466
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide
SMILESCNc1nccc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(C)C)c3)c2)n1
InChIInChI=1S/C26H25N5O2/c1-17(2)18-7-4-8-19(15-18)24(32)30-20-9-5-10-21(16-20)33-25-22(11-6-13-28-25)23-12-14-29-26(27-3)31-23/h4-17H,1-3H3,(H,30,32)(H,27,29,31)
InChIKeyDKDCVZIUCUDYCS-UHFFFAOYSA-N
XLogP5.75
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 58588283
3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587740
2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide
CID 58588382
N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58397243
3-bromo-N-[2-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 58588099
N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 58587863
3-ethenyl-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 143140228
2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(3-propylphenyl)benzamide
CID 90254948
1-(3-ethylphenyl)-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58587813
4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[(1S)-1-phenylethyl]benzamide
CID 58587735
2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58588294
N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide
CID 58588511

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide?
The IUPAC name of N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide (CID 58588466) is N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide?
The canonical SMILES for N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide is CNc1nccc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(C)C)c3)c2)n1.
What is the InChIKey of N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide?
The InChIKey is DKDCVZIUCUDYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17(2)18-7-4-8-19(15-18)24(32)30-20-9-5-10-21(16-20)33-25-22(11-6-13-28-25)23-12-14-29-26(27-3)31-23/h4-17H,1-3H3,(H,30,32)(H,27,29,31).
What are the key properties of N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide?
N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide has a molecular weight of 439.52 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide is sourced from PubChem (CID 58588466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).