N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide

C21H22FN5O2 — CID 15958274

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
SMILESCN1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1
InChIInChI=1S/C21H22FN5O2/c1-26-9-11-27(12-10-26)20-16-3-2-8-23-17(16)19(28)18(25-20)21(29)24-13-14-4-6-15(22)7-5-14/h2-8,28H,9-13H2,1H3,(H,24,29)
InChIKeyLQCQPBUEUDRVLA-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide (PubChem CID 15958274) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
PubChem CID15958274
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
SMILESCN1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1
InChIInChI=1S/C21H22FN5O2/c1-26-9-11-27(12-10-26)20-16-3-2-8-23-17(16)19(28)18(25-20)21(29)24-13-14-4-6-15(22)7-5-14/h2-8,28H,9-13H2,1H3,(H,24,29)
InChIKeyLQCQPBUEUDRVLA-UHFFFAOYSA-N
XLogP2.16
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide (CID 15958274) is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide is CN1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?
The InChIKey is LQCQPBUEUDRVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-26-9-11-27(12-10-26)20-16-3-2-8-23-17(16)19(28)18(25-20)21(29)24-13-14-4-6-15(22)7-5-14/h2-8,28H,9-13H2,1H3,(H,24,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.16, 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-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 15958274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).