N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide

C19H16FN3O3 — CID 54690871

IUPACN-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H16FN3O3/c20-12-3-1-10(2-4-12)7-11-8-14-16(21-9-11)17(24)15(19(26)23-14)18(25)22-13-5-6-13/h1-4,8-9,13H,5-7H2,(H,22,25)(H2,23,24,26)
InChIKeyBXTDUZZMLSIMDO-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.25
Rot. Bonds4

About N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide

N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54690871) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54690871
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H16FN3O3/c20-12-3-1-10(2-4-12)7-11-8-14-16(21-9-11)17(24)15(19(26)23-14)18(25)22-13-5-6-13/h1-4,8-9,13H,5-7H2,(H,22,25)(H2,23,24,26)
InChIKeyBXTDUZZMLSIMDO-UHFFFAOYSA-N
XLogP2.25
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 54690871) is N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NC1CC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is BXTDUZZMLSIMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-12-3-1-10(2-4-12)7-11-8-14-16(21-9-11)17(24)15(19(26)23-14)18(25)22-13-5-6-13/h1-4,8-9,13H,5-7H2,(H,22,25)(H2,23,24,26).
What are the key properties of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54690871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).