N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide

C12H17N3O3 — CID 76978371

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H17N3O3/c1-7-5-6-18-10(7)12(16)14-9-4-2-3-8(9)11(13)15-17/h5-6,8-9,17H,2-4H2,1H3,(H2,13,15)(H,14,16)
InChIKeyOWBBLDPNIBFPNG-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.23
Rot. Bonds3

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide (PubChem CID 76978371) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
PubChem CID76978371
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H17N3O3/c1-7-5-6-18-10(7)12(16)14-9-4-2-3-8(9)11(13)15-17/h5-6,8-9,17H,2-4H2,1H3,(H2,13,15)(H,14,16)
InChIKeyOWBBLDPNIBFPNG-UHFFFAOYSA-N
XLogP1.23
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
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-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-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

3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide
CID 43593745
3-methyl-N-(2-methylpiperidin-3-yl)furan-2-carboxamide;hydrochloride
CID 120577222
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978571
3-methyl-N-(4-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 104826170
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
4-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978395

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide (CID 76978371) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide?
The InChIKey is OWBBLDPNIBFPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-5-6-18-10(7)12(16)14-9-4-2-3-8(9)11(13)15-17/h5-6,8-9,17H,2-4H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 76978371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).