N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide

C23H22FN5O4 — CID 15958281

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide
SMILESCN(C(=O)C(=O)N1CCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C23H22FN5O4/c1-28(22(32)23(33)29-11-2-3-12-29)20-16-5-4-10-25-17(16)19(30)18(27-20)21(31)26-13-14-6-8-15(24)9-7-14/h4-10,30H,2-3,11-13H2,1H3,(H,26,31)
InChIKeyISRHJGSNKKPDDC-UHFFFAOYSA-N
MW451.46 g/mol
LogP1.99
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide (PubChem CID 15958281) has the molecular formula C23H22FN5O4 and a molecular weight of 451.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide
PubChem CID15958281
Molecular FormulaC23H22FN5O4
Molecular Weight451.46 g/mol
Exact Mass451.17
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide
SMILESCN(C(=O)C(=O)N1CCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C23H22FN5O4/c1-28(22(32)23(33)29-11-2-3-12-29)20-16-5-4-10-25-17(16)19(30)18(27-20)21(31)26-13-14-6-8-15(24)9-7-14/h4-10,30H,2-3,11-13H2,1H3,(H,26,31)
InChIKeyISRHJGSNKKPDDC-UHFFFAOYSA-N
XLogP1.99
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide (CID 15958281) is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide is CN(C(=O)C(=O)N1CCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide?
The InChIKey is ISRHJGSNKKPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O4/c1-28(22(32)23(33)29-11-2-3-12-29)20-16-5-4-10-25-17(16)19(30)18(27-20)21(31)26-13-14-6-8-15(24)9-7-14/h4-10,30H,2-3,11-13H2,1H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 15958281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).