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

C22H20FN3O5 — CID 30836963

IUPAC1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C22H20FN3O5/c1-30-17-4-2-5-18(12-17)31-14-20(27)24-25-21(28)19-6-3-11-26(22(19)29)13-15-7-9-16(23)10-8-15/h2-12H,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyQHJIMQVJEZQXML-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.88
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide (PubChem CID 30836963) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide
PubChem CID30836963
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC Name1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C22H20FN3O5/c1-30-17-4-2-5-18(12-17)31-14-20(27)24-25-21(28)19-6-3-11-26(22(19)29)13-15-7-9-16(23)10-8-15/h2-12H,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyQHJIMQVJEZQXML-UHFFFAOYSA-N
XLogP1.88
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
CID 30837004
N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
CID 30836978
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-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599382
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
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
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599387

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide (CID 30836963) is 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide is COc1cccc(OCC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide?
The InChIKey is QHJIMQVJEZQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-30-17-4-2-5-18(12-17)31-14-20(27)24-25-21(28)19-6-3-11-26(22(19)29)13-15-7-9-16(23)10-8-15/h2-12H,13-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide?
1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide has a molecular weight of 425.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30836963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).