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

C24H27FN4O3 — CID 69481987

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCCN2CCCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H27FN4O3/c1-28-19-14-17(13-16-5-7-18(25)8-6-16)15-27-21(19)22(30)20(24(28)32)23(31)26-9-4-12-29-10-2-3-11-29/h5-8,14-15,30H,2-4,9-13H2,1H3,(H,26,31)
InChIKeyAVXCXHYUUGRBRI-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.58
Rot. Bonds7

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69481987) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide
PubChem CID69481987
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCCN2CCCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H27FN4O3/c1-28-19-14-17(13-16-5-7-18(25)8-6-16)15-27-21(19)22(30)20(24(28)32)23(31)26-9-4-12-29-10-2-3-11-29/h5-8,14-15,30H,2-4,9-13H2,1H3,(H,26,31)
InChIKeyAVXCXHYUUGRBRI-UHFFFAOYSA-N
XLogP2.58
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide (CID 69481987) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCCCN2CCCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide?
The InChIKey is AVXCXHYUUGRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-28-19-14-17(13-16-5-7-18(25)8-6-16)15-27-21(19)22(30)20(24(28)32)23(31)26-9-4-12-29-10-2-3-11-29/h5-8,14-15,30H,2-4,9-13H2,1H3,(H,26,31).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).