N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide

C19H18FN3O3 — CID 57395697

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide
SMILESCC(C)n1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21
InChIInChI=1S/C19H18FN3O3/c1-11(2)23-14-4-3-9-21-16(14)17(24)15(19(23)26)18(25)22-10-12-5-7-13(20)8-6-12/h3-9,11,24H,10H2,1-2H3,(H,22,25)
InChIKeyKAUSSVRICVWZOF-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide (PubChem CID 57395697) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide
PubChem CID57395697
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide
SMILESCC(C)n1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21
InChIInChI=1S/C19H18FN3O3/c1-11(2)23-14-4-3-9-21-16(14)17(24)15(19(23)26)18(25)22-10-12-5-7-13(20)8-6-12/h3-9,11,24H,10H2,1-2H3,(H,22,25)
InChIKeyKAUSSVRICVWZOF-UHFFFAOYSA-N
XLogP2.75
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide (CID 57395697) is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide is CC(C)n1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide?
The InChIKey is KAUSSVRICVWZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11(2)23-14-4-3-9-21-16(14)17(24)15(19(23)26)18(25)22-10-12-5-7-13(20)8-6-12/h3-9,11,24H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-propan-2-yl-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57395697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).