1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide

C15H22N4O2 — CID 76919337

IUPAC1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C15H22N4O2/c1-19(11-7-12-6-2-5-10-17-12)14(20)15(13(16)18-21)8-3-4-9-15/h2,5-6,10,21H,3-4,7-9,11H2,1H3,(H2,16,18)
InChIKeyBXCDMRQNEPZYOF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.39
Rot. Bonds5

About 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide (PubChem CID 76919337) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
PubChem CID76919337
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C15H22N4O2/c1-19(11-7-12-6-2-5-10-17-12)14(20)15(13(16)18-21)8-3-4-9-15/h2,5-6,10,21H,3-4,7-9,11H2,1H3,(H2,16,18)
InChIKeyBXCDMRQNEPZYOF-UHFFFAOYSA-N
XLogP1.39
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.39
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-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 80590459
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 76920403
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80597062
N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80594081
(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
1-carbamothioyl-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80589192
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80594713
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 76985325

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide (CID 76919337) is 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide is CN(CCc1ccccn1)C(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is BXCDMRQNEPZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(11-7-12-6-2-5-10-17-12)14(20)15(13(16)18-21)8-3-4-9-15/h2,5-6,10,21H,3-4,7-9,11H2,1H3,(H2,16,18).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 76919337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).