3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide

C19H15FN4O4 — CID 146508212

IUPAC3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
SMILESCOc1ccc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCC(=O)N1
InChIInChI=1S/C19H15FN4O4/c1-28-14-5-3-11(20)8-12(14)16-10(9-21)2-4-13(25)17(16)18(27)24-19-22-7-6-15(26)23-19/h2-5,8,25H,6-7H2,1H3,(H2,22,23,24,26,27)
InChIKeyUAVPYANLSZTPOA-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.68
Rot. Bonds3

About 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide

3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide (PubChem CID 146508212) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
PubChem CID146508212
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC Name3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
SMILESCOc1ccc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCC(=O)N1
InChIInChI=1S/C19H15FN4O4/c1-28-14-5-3-11(20)8-12(14)16-10(9-21)2-4-13(25)17(16)18(27)24-19-22-7-6-15(26)23-19/h2-5,8,25H,6-7H2,1H3,(H2,22,23,24,26,27)
InChIKeyUAVPYANLSZTPOA-UHFFFAOYSA-N
XLogP1.68
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
CID 146507996
2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507961
5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide
CID 166768397
N-[7-cyano-5-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]acetamide
CID 25013221
2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507997
N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]acetamide
CID 118897199
2-(dimethylamino)-6-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
CID 94280993
N-[7-cyano-5-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-4-methylpiperazine-1-carboxamide
CID 25013396
N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110676242
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
methyl 3-cyano-4-hydroxybenzoate;methyl 3-cyano-4-methoxybenzoate
CID 67553335

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The IUPAC name of 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide (CID 146508212) is 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The canonical SMILES for 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide is COc1ccc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCC(=O)N1.
What is the InChIKey of 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The InChIKey is UAVPYANLSZTPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-28-14-5-3-11(20)8-12(14)16-10(9-21)2-4-13(25)17(16)18(27)24-19-22-7-6-15(26)23-19/h2-5,8,25H,6-7H2,1H3,(H2,22,23,24,26,27).
What are the key properties of 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide has a molecular weight of 382.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide is sourced from PubChem (CID 146508212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).