N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide

C23H23FN4O3 — CID 44579014

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
SMILESCC(C)N1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O
InChIInChI=1S/C23H23FN4O3/c1-13(2)28-12-15(10-18(28)29)19-17-4-3-9-25-20(17)22(30)21(27-19)23(31)26-11-14-5-7-16(24)8-6-14/h3-9,13,15,30H,10-12H2,1-2H3,(H,26,31)
InChIKeyLQRHHCHTXASMRR-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.13
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide (PubChem CID 44579014) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
PubChem CID44579014
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
SMILESCC(C)N1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O
InChIInChI=1S/C23H23FN4O3/c1-13(2)28-12-15(10-18(28)29)19-17-4-3-9-25-20(17)22(30)21(27-19)23(31)26-11-14-5-7-16(24)8-6-14/h3-9,13,15,30H,10-12H2,1-2H3,(H,26,31)
InChIKeyLQRHHCHTXASMRR-UHFFFAOYSA-N
XLogP3.13
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.13
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]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide (CID 44579014) is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide is CC(C)N1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide?
The InChIKey is LQRHHCHTXASMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-13(2)28-12-15(10-18(28)29)19-17-4-3-9-25-20(17)22(30)21(27-19)23(31)26-11-14-5-7-16(24)8-6-14/h3-9,13,15,30H,10-12H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 44579014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).