N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide

C13H19N5O — CID 123407379

IUPACN'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESCOc1ccc(/N=C(\N)N=C(N)N2CCCC2)cc1
InChIInChI=1S/C13H19N5O/c1-19-11-6-4-10(5-7-11)16-12(14)17-13(15)18-8-2-3-9-18/h4-7H,2-3,8-9H2,1H3,(H4,14,15,16,17)
InChIKeyCOWRDBFEXBTECV-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.05
Rot. Bonds2

About N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide

N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide (PubChem CID 123407379) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
PubChem CID123407379
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESCOc1ccc(/N=C(\N)N=C(N)N2CCCC2)cc1
InChIInChI=1S/C13H19N5O/c1-19-11-6-4-10(5-7-11)16-12(14)17-13(15)18-8-2-3-9-18/h4-7H,2-3,8-9H2,1H3,(H4,14,15,16,17)
InChIKeyCOWRDBFEXBTECV-UHFFFAOYSA-N
XLogP1.05
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-[N'-(3,5-dimethoxyphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162326479
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78092899
N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 171158004
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720633
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 141426679
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704
1-N',4-N'-bis[N'-(3-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134152566
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426691
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123594208
4-[[amino-[(Z)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]benzenesulfonic acid;hydrochloride
CID 156631539

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide (CID 123407379) is N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide is COc1ccc(/N=C(\N)N=C(N)N2CCCC2)cc1.
What is the InChIKey of N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The InChIKey is COWRDBFEXBTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-19-11-6-4-10(5-7-11)16-12(14)17-13(15)18-8-2-3-9-18/h4-7H,2-3,8-9H2,1H3,(H4,14,15,16,17).
What are the key properties of N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide has a molecular weight of 261.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 123407379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).