7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide

C24H28FN5O3 — CID 58882931

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)CC1
InChIInChI=1S/C24H28FN5O3/c1-29-9-11-30(12-10-29)8-2-7-26-23(32)20-22(31)21-19(28-24(20)33)14-17(15-27-21)13-16-3-5-18(25)6-4-16/h3-6,14-15H,2,7-13H2,1H3,(H,26,32)(H2,28,31,33)
InChIKeyKYHZUFQVCKRYFE-UHFFFAOYSA-N
MW453.52 g/mol
LogP1.73
Rot. Bonds7

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 58882931) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID58882931
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)CC1
InChIInChI=1S/C24H28FN5O3/c1-29-9-11-30(12-10-29)8-2-7-26-23(32)20-22(31)21-19(28-24(20)33)14-17(15-27-21)13-16-3-5-18(25)6-4-16/h3-6,14-15H,2,7-13H2,1H3,(H,26,32)(H2,28,31,33)
InChIKeyKYHZUFQVCKRYFE-UHFFFAOYSA-N
XLogP1.73
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.73
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 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 58882931) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide is CN1CCN(CCCNC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)CC1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is KYHZUFQVCKRYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-29-9-11-30(12-10-29)8-2-7-26-23(32)20-22(31)21-19(28-24(20)33)14-17(15-27-21)13-16-3-5-18(25)6-4-16/h3-6,14-15H,2,7-13H2,1H3,(H,26,32)(H2,28,31,33).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).