N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide

C22H23N3O3 — CID 53021179

IUPACN-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCC(C)NC(=O)c1cccc(-c2cc(Oc3ccc(OC)cc3)ncn2)c1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)25-22(26)17-7-5-6-16(12-17)20-13-21(24-14-23-20)28-19-10-8-18(27-3)9-11-19/h5-15H,4H2,1-3H3,(H,25,26)
InChIKeyTVPPLCZLWCRXTG-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.47
Rot. Bonds7

About N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53021179) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53021179
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCC(C)NC(=O)c1cccc(-c2cc(Oc3ccc(OC)cc3)ncn2)c1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)25-22(26)17-7-5-6-16(12-17)20-13-21(24-14-23-20)28-19-10-8-18(27-3)9-11-19/h5-15H,4H2,1-3H3,(H,25,26)
InChIKeyTVPPLCZLWCRXTG-UHFFFAOYSA-N
XLogP4.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 95053242
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458
N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53021179) is N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide is CCC(C)NC(=O)c1cccc(-c2cc(Oc3ccc(OC)cc3)ncn2)c1.
What is the InChIKey of N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is TVPPLCZLWCRXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-15(2)25-22(26)17-7-5-6-16(12-17)20-13-21(24-14-23-20)28-19-10-8-18(27-3)9-11-19/h5-15H,4H2,1-3H3,(H,25,26).
What are the key properties of N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53021179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).