N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C21H30N6O — CID 111741142

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1cccnc1OC1CCCC1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C21H30N6O/c1-22-21(27-11-9-17(15-27)18-13-25-26(2)14-18)24-12-16-6-5-10-23-20(16)28-19-7-3-4-8-19/h5-6,10,13-14,17,19H,3-4,7-9,11-12,15H2,1-2H3,(H,22,24)
InChIKeyYPUGXNKLWSSKOB-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.70
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 111741142) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID111741142
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1cccnc1OC1CCCC1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C21H30N6O/c1-22-21(27-11-9-17(15-27)18-13-25-26(2)14-18)24-12-16-6-5-10-23-20(16)28-19-7-3-4-8-19/h5-6,10,13-14,17,19H,3-4,7-9,11-12,15H2,1-2H3,(H,22,24)
InChIKeyYPUGXNKLWSSKOB-UHFFFAOYSA-N
XLogP2.70
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741909
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
CID 111740512
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433448
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726385
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742721
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740451
N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741937
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111996007
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743404
ethyl 4-[N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162645
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111742709
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184299

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 111741142) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is C/N=C(/NCc1cccnc1OC1CCCC1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is YPUGXNKLWSSKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-22-21(27-11-9-17(15-27)18-13-25-26(2)14-18)24-12-16-6-5-10-23-20(16)28-19-7-3-4-8-19/h5-6,10,13-14,17,19H,3-4,7-9,11-12,15H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 382.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111741142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).