1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide

C21H18FN3O4 — CID 30837004

IUPAC1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C21H18FN3O4/c1-29-17-5-2-4-15(12-17)19(26)23-24-20(27)18-6-3-11-25(21(18)28)13-14-7-9-16(22)10-8-14/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyIXKVIKAUNCUPIE-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.12
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide

1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide (PubChem CID 30837004) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
PubChem CID30837004
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C21H18FN3O4/c1-29-17-5-2-4-15(12-17)19(26)23-24-20(27)18-6-3-11-25(21(18)28)13-14-7-9-16(22)10-8-14/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyIXKVIKAUNCUPIE-UHFFFAOYSA-N
XLogP2.12
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide
CID 30836963
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
CID 30836978
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524556
N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599382
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
1-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598073

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide (CID 30837004) is 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide is COc1cccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide?
The InChIKey is IXKVIKAUNCUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-29-17-5-2-4-15(12-17)19(26)23-24-20(27)18-6-3-11-25(21(18)28)13-14-7-9-16(22)10-8-14/h2-12H,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide?
1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide has a molecular weight of 395.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30837004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).