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

C22H24N4O3 — CID 136891124

IUPAC2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1
InChIInChI=1S/C22H24N4O3/c1-14(2)21(25-19(27)12-15-4-6-17(29-3)7-5-15)18-13-20(28)26-22(24-18)16-8-10-23-11-9-16/h4-11,13-14,21H,12H2,1-3H3,(H,25,27)(H,24,26,28)/t21-/m1/s1
InChIKeyNIBODWYZBXMWRL-OAQYLSRUSA-N
MW392.46 g/mol
LogP2.90
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide (PubChem CID 136891124) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide
PubChem CID136891124
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1
InChIInChI=1S/C22H24N4O3/c1-14(2)21(25-19(27)12-15-4-6-17(29-3)7-5-15)18-13-20(28)26-22(24-18)16-8-10-23-11-9-16/h4-11,13-14,21H,12H2,1-3H3,(H,25,27)(H,24,26,28)/t21-/m1/s1
InChIKeyNIBODWYZBXMWRL-OAQYLSRUSA-N
XLogP2.90
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide
CID 136858596
2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 135963448
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide
CID 92578754
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide (CID 136891124) is 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide is COc1ccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide?
The InChIKey is NIBODWYZBXMWRL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)21(25-19(27)12-15-4-6-17(29-3)7-5-15)18-13-20(28)26-22(24-18)16-8-10-23-11-9-16/h4-11,13-14,21H,12H2,1-3H3,(H,25,27)(H,24,26,28)/t21-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide?
2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.90, 7 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)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide is sourced from PubChem (CID 136891124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).