N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide

C19H17N3O2 — CID 122263471

IUPACN-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
SMILESCc1cc(CNC(=O)c2ccc(Oc3ccccc3)cc2)ncn1
InChIInChI=1S/C19H17N3O2/c1-14-11-16(22-13-21-14)12-20-19(23)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,20,23)
InChIKeyXPHVVEHPRSEWTG-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.51
Rot. Bonds5

About N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide

N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide (PubChem CID 122263471) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
PubChem CID122263471
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
SMILESCc1cc(CNC(=O)c2ccc(Oc3ccccc3)cc2)ncn1
InChIInChI=1S/C19H17N3O2/c1-14-11-16(22-13-21-14)12-20-19(23)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,20,23)
InChIKeyXPHVVEHPRSEWTG-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263270
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-phenoxybenzamide
CID 90547190

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide (CID 122263471) is N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide is Cc1cc(CNC(=O)c2ccc(Oc3ccccc3)cc2)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide?
The InChIKey is XPHVVEHPRSEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14-11-16(22-13-21-14)12-20-19(23)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,20,23).
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide?
N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide is sourced from PubChem (CID 122263471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).