1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide

C14H20N4O2 — CID 80590459

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1(/C(N)=N/O)CCC1
InChIInChI=1S/C14H20N4O2/c1-18(10-6-11-5-2-3-9-16-11)13(19)14(7-4-8-14)12(15)17-20/h2-3,5,9,20H,4,6-8,10H2,1H3,(H2,15,17)
InChIKeyRKXSUMWFHNURIT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.00
Rot. Bonds5

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide (PubChem CID 80590459) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
PubChem CID80590459
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1(/C(N)=N/O)CCC1
InChIInChI=1S/C14H20N4O2/c1-18(10-6-11-5-2-3-9-16-11)13(19)14(7-4-8-14)12(15)17-20/h2-3,5,9,20H,4,6-8,10H2,1H3,(H2,15,17)
InChIKeyRKXSUMWFHNURIT-UHFFFAOYSA-N
XLogP1.00
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
CID 76919337
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80597062
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 76920403
N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80594081
1-carbamothioyl-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80589192
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
CID 115185783
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80596819
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 80596960
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide (CID 80590459) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide is CN(CCc1ccccn1)C(=O)C1(/C(N)=N/O)CCC1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is RKXSUMWFHNURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(10-6-11-5-2-3-9-16-11)13(19)14(7-4-8-14)12(15)17-20/h2-3,5,9,20H,4,6-8,10H2,1H3,(H2,15,17).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).