3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide

C25H23FN4O3 — CID 59696395

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide
SMILESCN(C)NC(=O)c1nc(-c2ccc(CO)cc2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C25H23FN4O3/c1-30(2)29-25(33)23-24(32)22-20(21(28-23)18-7-3-16(14-31)4-8-18)12-17(13-27-22)11-15-5-9-19(26)10-6-15/h3-10,12-13,31-32H,11,14H2,1-2H3,(H,29,33)
InChIKeyGFBGSXHOYVEZSK-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.43
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide

3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide (PubChem CID 59696395) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide
PubChem CID59696395
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide
SMILESCN(C)NC(=O)c1nc(-c2ccc(CO)cc2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C25H23FN4O3/c1-30(2)29-25(33)23-24(32)22-20(21(28-23)18-7-3-16(14-31)4-8-18)12-17(13-27-22)11-15-5-9-19(26)10-6-15/h3-10,12-13,31-32H,11,14H2,1-2H3,(H,29,33)
InChIKeyGFBGSXHOYVEZSK-UHFFFAOYSA-N
XLogP3.43
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxylate
CID 59696516
methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10384451
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[[methyl(methylcarbamoyl)amino]carbamoyl]quinoline-7-carboxylate
CID 68857767
methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 59696420
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
CID 59696515
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methylaminocarbamoyl)quinoline-7-carboxylate
CID 68822421
methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate
CID 23149783
5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
CID 58763099
5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde
CID 89187490
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid
CID 67089096

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide (CID 59696395) is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide is CN(C)NC(=O)c1nc(-c2ccc(CO)cc2)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide?
The InChIKey is GFBGSXHOYVEZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-30(2)29-25(33)23-24(32)22-20(21(28-23)18-7-3-16(14-31)4-8-18)12-17(13-27-22)11-15-5-9-19(26)10-6-15/h3-10,12-13,31-32H,11,14H2,1-2H3,(H,29,33).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide?
3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide has a molecular weight of 446.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide is sourced from PubChem (CID 59696395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).