N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide

C25H22N4O3 — CID 148543420

IUPACN-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
SMILESCCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1
InChIInChI=1S/C25H22N4O3/c1-2-23-26-13-12-21(28-23)19-14-22(25(31)27-15-19)29-24(30)18-8-10-20(11-9-18)32-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,27,31)(H,29,30)
InChIKeyMSPWSAGWELBNBV-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.23
Rot. Bonds7

About N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide

N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide (PubChem CID 148543420) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
PubChem CID148543420
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
SMILESCCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1
InChIInChI=1S/C25H22N4O3/c1-2-23-26-13-12-21(28-23)19-14-22(25(31)27-15-19)29-24(30)18-8-10-20(11-9-18)32-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,27,31)(H,29,30)
InChIKeyMSPWSAGWELBNBV-UHFFFAOYSA-N
XLogP4.23
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 159037481
4-tert-butyl-N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11718719
N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide
CID 159039079
N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide
CID 168787249
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
N-(2-hydroxyphenyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 34954288
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
CID 117074156
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide (CID 148543420) is N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide is CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1.
What is the InChIKey of N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide?
The InChIKey is MSPWSAGWELBNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-2-23-26-13-12-21(28-23)19-14-22(25(31)27-15-19)29-24(30)18-8-10-20(11-9-18)32-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide?
N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide has a molecular weight of 426.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 148543420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).