2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide

C20H20N4O3 — CID 135963448

IUPAC2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C)c2cc(=O)[nH]c(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-13(22-18(25)10-14-5-7-16(27-2)8-6-14)17-11-19(26)24-20(23-17)15-4-3-9-21-12-15/h3-9,11-13H,10H2,1-2H3,(H,22,25)(H,23,24,26)/t13-/m1/s1
InChIKeyMMHMZBBBRLXLGI-CYBMUJFWSA-N
MW364.41 g/mol
LogP2.26
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide

2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide (PubChem CID 135963448) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide
PubChem CID135963448
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C)c2cc(=O)[nH]c(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-13(22-18(25)10-14-5-7-16(27-2)8-6-14)17-11-19(26)24-20(23-17)15-4-3-9-21-12-15/h3-9,11-13H,10H2,1-2H3,(H,22,25)(H,23,24,26)/t13-/m1/s1
InChIKeyMMHMZBBBRLXLGI-CYBMUJFWSA-N
XLogP2.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide (CID 135963448) is 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide is COc1ccc(CC(=O)N[C@H](C)c2cc(=O)[nH]c(-c3cccnc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide?
The InChIKey is MMHMZBBBRLXLGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(22-18(25)10-14-5-7-16(27-2)8-6-14)17-11-19(26)24-20(23-17)15-4-3-9-21-12-15/h3-9,11-13H,10H2,1-2H3,(H,22,25)(H,23,24,26)/t13-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide?
2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 135963448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).