5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C22H24FN5O3 — CID 15958275

IUPAC5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCC(=O)N(C)CCN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C22H24FN5O3/c1-14(29)27(2)11-12-28(3)21-17-5-4-10-24-18(17)20(30)19(26-21)22(31)25-13-15-6-8-16(23)9-7-15/h4-10,30H,11-13H2,1-3H3,(H,25,31)
InChIKeyUFMLZMGXQKBRGT-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.32
Rot. Bonds7

About 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 15958275) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID15958275
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCC(=O)N(C)CCN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C22H24FN5O3/c1-14(29)27(2)11-12-28(3)21-17-5-4-10-24-18(17)20(30)19(26-21)22(31)25-13-15-6-8-16(23)9-7-15/h4-10,30H,11-13H2,1-3H3,(H,25,31)
InChIKeyUFMLZMGXQKBRGT-UHFFFAOYSA-N
XLogP2.32
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 15958275) is 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CC(=O)N(C)CCN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12.
What is the InChIKey of 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is UFMLZMGXQKBRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14(29)27(2)11-12-28(3)21-17-5-4-10-24-18(17)20(30)19(26-21)22(31)25-13-15-6-8-16(23)9-7-15/h4-10,30H,11-13H2,1-3H3,(H,25,31).
What are the key properties of 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[acetyl(methyl)amino]ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 15958275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).