2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide

C23H19N5O3 — CID 154806851

IUPAC2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C23H19N5O3/c1-15-20(23(30)28-22(26-15)16-4-2-10-24-13-16)12-21(29)27-17-6-8-18(9-7-17)31-19-5-3-11-25-14-19/h2-11,13-14H,12H2,1H3,(H,27,29)(H,26,28,30)
InChIKeyFYTMHEHEIZZGFD-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.51
Rot. Bonds6

About 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide

2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide (PubChem CID 154806851) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
PubChem CID154806851
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C23H19N5O3/c1-15-20(23(30)28-22(26-15)16-4-2-10-24-13-16)12-21(29)27-17-6-8-18(9-7-17)31-19-5-3-11-25-14-19/h2-11,13-14H,12H2,1H3,(H,27,29)(H,26,28,30)
InChIKeyFYTMHEHEIZZGFD-UHFFFAOYSA-N
XLogP3.51
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide
CID 137127027
N-[1-(aminomethyl)cyclopentyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137095588
N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137030010
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 135965594
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)acetamide;dihydrochloride
CID 137086212
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
CID 136793208
(2R)-3-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 136942120
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide
CID 136877410
(2S)-4-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
CID 137010270
N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide
CID 137078585
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride
CID 137081429
5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137091921

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide (CID 154806851) is 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide is Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is FYTMHEHEIZZGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-15-20(23(30)28-22(26-15)16-4-2-10-24-13-16)12-21(29)27-17-6-8-18(9-7-17)31-19-5-3-11-25-14-19/h2-11,13-14H,12H2,1H3,(H,27,29)(H,26,28,30).
What are the key properties of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 413.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 154806851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).