N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide

C14H20N4O2 — CID 80594081

IUPACN-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)C1(/C(N)=N/O)CCC1
InChIInChI=1S/C14H20N4O2/c1-2-18(10-11-6-3-4-9-16-11)13(19)14(7-5-8-14)12(15)17-20/h3-4,6,9,20H,2,5,7-8,10H2,1H3,(H2,15,17)
InChIKeyUFNSHHUCSRYWKT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.35
Rot. Bonds5

About N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide

N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 80594081) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID80594081
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)C1(/C(N)=N/O)CCC1
InChIInChI=1S/C14H20N4O2/c1-2-18(10-11-6-3-4-9-16-11)13(19)14(7-5-8-14)12(15)17-20/h3-4,6,9,20H,2,5,7-8,10H2,1H3,(H2,15,17)
InChIKeyUFNSHHUCSRYWKT-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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'}

Analyze N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 80590459
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
CID 76919337
1-carbamothioyl-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80589192
N-ethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106975512
N-(2-amino-2-oxoethyl)-N-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 103103732
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 80598391
N-butyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920770
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79470522
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-2-methylpropyl)cycloheptane-1-carboxamide
CID 79376709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide (CID 80594081) is N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide is CCN(Cc1ccccn1)C(=O)C1(/C(N)=N/O)CCC1.
What is the InChIKey of N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is UFNSHHUCSRYWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-18(10-11-6-3-4-9-16-11)13(19)14(7-5-8-14)12(15)17-20/h3-4,6,9,20H,2,5,7-8,10H2,1H3,(H2,15,17).
What are the key properties of N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80594081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).