N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide

C14H22N4O — CID 110955578

IUPACN-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(OC)n1)N1CCCC1
InChIInChI=1S/C14H22N4O/c1-3-15-14(18-9-4-5-10-18)16-11-12-7-6-8-13(17-12)19-2/h6-8H,3-5,9-11H2,1-2H3,(H,15,16)
InChIKeyFSHFCGXGDJLBOP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.65
Rot. Bonds4

About N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 110955578) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide
PubChem CID110955578
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(OC)n1)N1CCCC1
InChIInChI=1S/C14H22N4O/c1-3-15-14(18-9-4-5-10-18)16-11-12-7-6-8-13(17-12)19-2/h6-8H,3-5,9-11H2,1-2H3,(H,15,16)
InChIKeyFSHFCGXGDJLBOP-UHFFFAOYSA-N
XLogP1.65
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111184434
ethyl 4-[N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162792
ethyl 1-[N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993592
N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111743243
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110980703
1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110943978
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111568464
4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111959845
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317772
N-ethyl-4-(2-fluorophenyl)-N'-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111149241
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide (CID 110955578) is N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1cccc(OC)n1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is FSHFCGXGDJLBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-15-14(18-9-4-5-10-18)16-11-12-7-6-8-13(17-12)19-2/h6-8H,3-5,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).