1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide

C17H18FN3O2 — CID 91650350

IUPAC1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide
SMILESCOc1ccc(NNC(=O)C2(c3cccc(F)c3)CCC2)nc1
InChIInChI=1S/C17H18FN3O2/c1-23-14-6-7-15(19-11-14)20-21-16(22)17(8-3-9-17)12-4-2-5-13(18)10-12/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyFDMOEVSBZWXDPU-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide

1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide (PubChem CID 91650350) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide
PubChem CID91650350
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide
SMILESCOc1ccc(NNC(=O)C2(c3cccc(F)c3)CCC2)nc1
InChIInChI=1S/C17H18FN3O2/c1-23-14-6-7-15(19-11-14)20-21-16(22)17(8-3-9-17)12-4-2-5-13(18)10-12/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyFDMOEVSBZWXDPU-UHFFFAOYSA-N
XLogP2.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide
CID 36855400
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 56524254
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 18198508
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 4538959
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide
CID 86982921
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide (CID 91650350) is 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide is COc1ccc(NNC(=O)C2(c3cccc(F)c3)CCC2)nc1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide?
The InChIKey is FDMOEVSBZWXDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-14-6-7-15(19-11-14)20-21-16(22)17(8-3-9-17)12-4-2-5-13(18)10-12/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide?
1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide has a molecular weight of 315.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 91650350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).