(3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide

C19H31N5O — CID 111551498

IUPAC(3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)N1CC[C@@H](O)C1
InChIInChI=1S/C19H31N5O/c1-3-20-19(24-11-8-17(25)14-24)22-13-16-4-5-18(21-12-16)23-9-6-15(2)7-10-23/h4-5,12,15,17,25H,3,6-11,13-14H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyIHWYWXIQFNMXIX-QGZVFWFLSA-N
MW345.49 g/mol
LogP1.85
Rot. Bonds4

About (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide

(3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide (PubChem CID 111551498) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
PubChem CID111551498
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)N1CC[C@@H](O)C1
InChIInChI=1S/C19H31N5O/c1-3-20-19(24-11-8-17(25)14-24)22-13-16-4-5-18(21-12-16)23-9-6-15(2)7-10-23/h4-5,12,15,17,25H,3,6-11,13-14H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyIHWYWXIQFNMXIX-QGZVFWFLSA-N
XLogP1.85
TPSA63.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.85
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'}

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Related Compounds

(3R)-N-ethyl-3-hydroxy-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111551496
(3R)-N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550647
(3R)-N-ethyl-3-hydroxy-N'-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111550932
N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442785
N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955079
1-cyclopentyl-3-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 110989623
1-(cyclopropylmethyl)-3-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111869931
N-ethyl-N'-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724175
(3R)-N'-[(4-chlorophenyl)methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551016
(3R)-N-ethyl-3-hydroxy-N'-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111549822
1-ethyl-3-(3-methylbutan-2-yl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111000296
methyl 1-[N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254216

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide (CID 111551498) is (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
The InChIKey is IHWYWXIQFNMXIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O/c1-3-20-19(24-11-8-17(25)14-24)22-13-16-4-5-18(21-12-16)23-9-6-15(2)7-10-23/h4-5,12,15,17,25H,3,6-11,13-14H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
(3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide has a molecular weight of 345.49 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111551498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).