N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane

C21H25FN4O2 — CID 156724263

IUPACN-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane
SMILESCC/C(=N\c1ccc(C#N)cn1)NC(=O)COC1(C2=CCCC=C2)CC1.CF
InChIInChI=1S/C20H22N4O2.CH3F/c1-2-17(23-18-9-8-15(12-21)13-22-18)24-19(25)14-26-20(10-11-20)16-6-4-3-5-7-16;1-2/h4,6-9,13H,2-3,5,10-11,14H2,1H3,(H,22,23,24,25);1H3
InChIKeyKFVOXUIHYHNOFQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.92
Rot. Bonds6

About N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane

N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane (PubChem CID 156724263) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane.

Molecular Properties

Compound NameN-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane
PubChem CID156724263
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane
SMILESCC/C(=N\c1ccc(C#N)cn1)NC(=O)COC1(C2=CCCC=C2)CC1.CF
InChIInChI=1S/C20H22N4O2.CH3F/c1-2-17(23-18-9-8-15(12-21)13-22-18)24-19(25)14-26-20(10-11-20)16-6-4-3-5-7-16;1-2/h4,6-9,13H,2-3,5,10-11,14H2,1H3,(H,22,23,24,25);1H3
InChIKeyKFVOXUIHYHNOFQ-UHFFFAOYSA-N
XLogP3.92
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-bromo-5-methoxyphenyl)cyclopropyl]oxyacetamide;6-(but-1-en-2-ylamino)pyridine-3-carbonitrile
CID 156724020
N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide
CID 156724051
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 113362666
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide
CID 156724315
N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide
CID 156724066
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103742429
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
5-cyano-N-[(2-methylthiolan-2-yl)methyl]pyridine-2-carboxamide
CID 80528714
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210

Frequently Asked Questions

What is the IUPAC name of N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane?
The IUPAC name of N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane (CID 156724263) is N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane.
What is the SMILES notation for N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane?
The canonical SMILES for N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane is CC/C(=N\c1ccc(C#N)cn1)NC(=O)COC1(C2=CCCC=C2)CC1.CF.
What is the InChIKey of N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane?
The InChIKey is KFVOXUIHYHNOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.CH3F/c1-2-17(23-18-9-8-15(12-21)13-22-18)24-19(25)14-26-20(10-11-20)16-6-4-3-5-7-16;1-2/h4,6-9,13H,2-3,5,10-11,14H2,1H3,(H,22,23,24,25);1H3.
What are the key properties of N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane?
N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane has a molecular weight of 384.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(5-cyano-2-pyridinyl)-C-ethylcarbonimidoyl]-2-(1-cyclohexa-1,5-dien-1-ylcyclopropyl)oxyacetamide;fluoromethane is sourced from PubChem (CID 156724263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).