N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide

C19H18N4O3 — CID 56740696

IUPACN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C19H18N4O3/c1-14-6-2-3-8-16(14)26-18-15(7-4-9-20-18)12-22-17(24)13-23-11-5-10-21-19(23)25/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyPXURXTBHCFTJAF-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.06
Rot. Bonds6

About N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 56740696) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID56740696
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C19H18N4O3/c1-14-6-2-3-8-16(14)26-18-15(7-4-9-20-18)12-22-17(24)13-23-11-5-10-21-19(23)25/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyPXURXTBHCFTJAF-UHFFFAOYSA-N
XLogP2.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylimidazol-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56760557
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56751374
2-(2H-indazol-3-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 26392610
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 42291769
5-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1H-imidazole-2-carboxamide
CID 56746207
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 28809319
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369
3-[2-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45243417
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 56751942
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56749217
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 56740696) is N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide is Cc1ccccc1Oc1ncccc1CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is PXURXTBHCFTJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-14-6-2-3-8-16(14)26-18-15(7-4-9-20-18)12-22-17(24)13-23-11-5-10-21-19(23)25/h2-11H,12-13H2,1H3,(H,22,24).
What are the key properties of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 56740696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).