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

C21H21FN4O4 — CID 69480435

IUPACN-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C21H21FN4O4/c1-12(27)23-7-8-24-20(29)17-19(28)18-16(26(2)21(17)30)10-14(11-25-18)9-13-3-5-15(22)6-4-13/h3-6,10-11,28H,7-9H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyBRUIGFVBEPZHAV-UHFFFAOYSA-N
MW412.42 g/mol
LogP1.23
Rot. Bonds6

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

N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69480435) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69480435
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC NameN-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C21H21FN4O4/c1-12(27)23-7-8-24-20(29)17-19(28)18-16(26(2)21(17)30)10-14(11-25-18)9-13-3-5-15(22)6-4-13/h3-6,10-11,28H,7-9H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyBRUIGFVBEPZHAV-UHFFFAOYSA-N
XLogP1.23
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 51.23
H-Bond Donors ≤ 53
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 N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69480435) is N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is CC(=O)NCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O.
What is the InChIKey of N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is BRUIGFVBEPZHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-12(27)23-7-8-24-20(29)17-19(28)18-16(26(2)21(17)30)10-14(11-25-18)9-13-3-5-15(22)6-4-13/h3-6,10-11,28H,7-9H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).