N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide

C20H19ClN4O3 — CID 51368569

IUPACN-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)Nc2cccnc2Cl)c(=O)c1CCO
InChIInChI=1S/C20H19ClN4O3/c1-13-15(9-11-26)20(28)25(19(23-13)14-6-3-2-4-7-14)12-17(27)24-16-8-5-10-22-18(16)21/h2-8,10,26H,9,11-12H2,1H3,(H,24,27)
InChIKeyHHTFALDRCNCYIZ-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.44
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide

N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide (PubChem CID 51368569) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
PubChem CID51368569
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)Nc2cccnc2Cl)c(=O)c1CCO
InChIInChI=1S/C20H19ClN4O3/c1-13-15(9-11-26)20(28)25(19(23-13)14-6-3-2-4-7-14)12-17(27)24-16-8-5-10-22-18(16)21/h2-8,10,26H,9,11-12H2,1H3,(H,24,27)
InChIKeyHHTFALDRCNCYIZ-UHFFFAOYSA-N
XLogP2.44
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368511
N-(2-chloro-6-methylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368553
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91911984
N-(2,4-difluorophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368513
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51368489
N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368967
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 51368647
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 95185360
N-(2-ethylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369064
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95185354
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95185364
N-benzyl-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368921

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide (CID 51368569) is N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide is Cc1nc(-c2ccccc2)n(CC(=O)Nc2cccnc2Cl)c(=O)c1CCO.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
The InChIKey is HHTFALDRCNCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-13-15(9-11-26)20(28)25(19(23-13)14-6-3-2-4-7-14)12-17(27)24-16-8-5-10-22-18(16)21/h2-8,10,26H,9,11-12H2,1H3,(H,24,27).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 51368569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).