1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide

C24H27FN4O5 — CID 69482153

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NC(C)(C)CO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H27FN4O5/c1-24(2,13-30)27-22(33)19-21(32)20-17(29(23(19)34)12-18(31)28(3)4)10-15(11-26-20)9-14-5-7-16(25)8-6-14/h5-8,10-11,30,32H,9,12-13H2,1-4H3,(H,27,33)
InChIKeyCBISHOHYFYEAOV-UHFFFAOYSA-N
MW470.50 g/mol
LogP1.42
Rot. Bonds7

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

1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482153) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482153
Molecular FormulaC24H27FN4O5
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NC(C)(C)CO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H27FN4O5/c1-24(2,13-30)27-22(33)19-21(32)20-17(29(23(19)34)12-18(31)28(3)4)10-15(11-26-20)9-14-5-7-16(25)8-6-14/h5-8,10-11,30,32H,9,12-13H2,1-4H3,(H,27,33)
InChIKeyCBISHOHYFYEAOV-UHFFFAOYSA-N
XLogP1.42
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482153) is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)Cn1c(=O)c(C(=O)NC(C)(C)CO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is CBISHOHYFYEAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-24(2,13-30)27-22(33)19-21(32)20-17(29(23(19)34)12-18(31)28(3)4)10-15(11-26-20)9-14-5-7-16(25)8-6-14/h5-8,10-11,30,32H,9,12-13H2,1-4H3,(H,27,33).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).