N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide

C26H25N5O2 — CID 141482480

IUPACN-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nc3ncccn3)c2)cc1
InChIInChI=1S/C26H25N5O2/c1-18-9-11-20(12-10-18)17-30-25(32)22-7-3-6-21(16-22)19(2)33-23-8-4-13-27-24(23)31-26-28-14-5-15-29-26/h3-16,19H,17H2,1-2H3,(H,30,32)(H,27,28,29,31)
InChIKeyDWWKAQOUNIGANJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.99
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide

N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide (PubChem CID 141482480) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
PubChem CID141482480
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nc3ncccn3)c2)cc1
InChIInChI=1S/C26H25N5O2/c1-18-9-11-20(12-10-18)17-30-25(32)22-7-3-6-21(16-22)19(2)33-23-8-4-13-27-24(23)31-26-28-14-5-15-29-26/h3-16,19H,17H2,1-2H3,(H,30,32)(H,27,28,29,31)
InChIKeyDWWKAQOUNIGANJ-UHFFFAOYSA-N
XLogP4.99
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide (CID 141482480) is N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide is Cc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nc3ncccn3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is DWWKAQOUNIGANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18-9-11-20(12-10-18)17-30-25(32)22-7-3-6-21(16-22)19(2)33-23-8-4-13-27-24(23)31-26-28-14-5-15-29-26/h3-16,19H,17H2,1-2H3,(H,30,32)(H,27,28,29,31).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?
N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 141482480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).