N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide

C18H29N5O — CID 111963911

IUPACN-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)N1CCCC1
InChIInChI=1S/C18H29N5O/c1-3-19-18(22-8-4-5-9-22)21-13-16-6-7-20-17(12-16)23-10-11-24-15(2)14-23/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,19,21)
InChIKeyYXVUPWSJBUPLSI-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.87
Rot. Bonds4

About N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide (PubChem CID 111963911) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide
PubChem CID111963911
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)N1CCCC1
InChIInChI=1S/C18H29N5O/c1-3-19-18(22-8-4-5-9-22)21-13-16-6-7-20-17(12-16)23-10-11-24-15(2)14-23/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,19,21)
InChIKeyYXVUPWSJBUPLSI-UHFFFAOYSA-N
XLogP1.87
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
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

N-ethyl-3,5-dimethyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111154175
1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine
CID 111964411
1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111965070
N-ethyl-N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 110955704
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111965043
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964623
N-ethyl-4-pyridin-2-yl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111220147
N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119145054
N-ethyl-4-(2-hydroxyphenyl)-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide
CID 111186012
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111965042
N-ethyl-3-morpholin-4-yl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111727211
N-ethyl-4-phenyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide (CID 111963911) is N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
The InChIKey is YXVUPWSJBUPLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-19-18(22-8-4-5-9-22)21-13-16-6-7-20-17(12-16)23-10-11-24-15(2)14-23/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide has a molecular weight of 331.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111963911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).