2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide

C18H16N4O4 — CID 167945612

IUPAC2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cc3c(O)nc[nH]c3=O)cn2)cc1
InChIInChI=1S/C18H16N4O4/c1-11-2-5-13(6-3-11)26-16-7-4-12(9-19-16)22-15(23)8-14-17(24)20-10-21-18(14)25/h2-7,9-10H,8H2,1H3,(H,22,23)(H2,20,21,24,25)
InChIKeyBIVVLKSZYWXAGY-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide

2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide (PubChem CID 167945612) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
PubChem CID167945612
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cc3c(O)nc[nH]c3=O)cn2)cc1
InChIInChI=1S/C18H16N4O4/c1-11-2-5-13(6-3-11)26-16-7-4-12(9-19-16)22-15(23)8-14-17(24)20-10-21-18(14)25/h2-7,9-10H,8H2,1H3,(H,22,23)(H2,20,21,24,25)
InChIKeyBIVVLKSZYWXAGY-UHFFFAOYSA-N
XLogP2.15
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-indol-3-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 52649446
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55787663
N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941281
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
4-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194109
2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 166220726
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide (CID 167945612) is 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide is Cc1ccc(Oc2ccc(NC(=O)Cc3c(O)nc[nH]c3=O)cn2)cc1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide?
The InChIKey is BIVVLKSZYWXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-2-5-13(6-3-11)26-16-7-4-12(9-19-16)22-15(23)8-14-17(24)20-10-21-18(14)25/h2-7,9-10H,8H2,1H3,(H,22,23)(H2,20,21,24,25).
What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide?
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide has a molecular weight of 352.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 167945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).