4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide

C19H18FN5O5 — CID 54683909

IUPAC4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide
SMILESCc1nonc1CN(C)C(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C19H18FN5O5/c1-10-15(24-30-23-10)9-25(2)19(29)14-7-13(16(26)18(28)22-14)17(27)21-8-11-3-5-12(20)6-4-11/h3-7,26H,8-9H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyUSNIWIZDOGHZBH-UHFFFAOYSA-N
MW415.38 g/mol
LogP1.11
Rot. Bonds6

About 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide

4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide (PubChem CID 54683909) has the molecular formula C19H18FN5O5 and a molecular weight of 415.38 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide
PubChem CID54683909
Molecular FormulaC19H18FN5O5
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide
SMILESCc1nonc1CN(C)C(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C19H18FN5O5/c1-10-15(24-30-23-10)9-25(2)19(29)14-7-13(16(26)18(28)22-14)17(27)21-8-11-3-5-12(20)6-4-11/h3-7,26H,8-9H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyUSNIWIZDOGHZBH-UHFFFAOYSA-N
XLogP1.11
TPSA141.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide (CID 54683909) is 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide is Cc1nonc1CN(C)C(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide?
The InChIKey is USNIWIZDOGHZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O5/c1-10-15(24-30-23-10)9-25(2)19(29)14-7-13(16(26)18(28)22-14)17(27)21-8-11-3-5-12(20)6-4-11/h3-7,26H,8-9H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide?
4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide has a molecular weight of 415.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide is sourced from PubChem (CID 54683909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).