1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine

C20H35N5O2 — CID 111017615

IUPAC1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/Cc2cccnc2OCCOC)NCC)CC1
InChIInChI=1S/C20H35N5O2/c1-4-11-25-12-8-18(9-13-25)24-20(21-5-2)23-16-17-7-6-10-22-19(17)27-15-14-26-3/h6-7,10,18H,4-5,8-9,11-16H2,1-3H3,(H2,21,23,24)
InChIKeyRCQCWCXKPYMKMB-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.04
Rot. Bonds10

About 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine

1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111017615) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111017615
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC Name1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/Cc2cccnc2OCCOC)NCC)CC1
InChIInChI=1S/C20H35N5O2/c1-4-11-25-12-8-18(9-13-25)24-20(21-5-2)23-16-17-7-6-10-22-19(17)27-15-14-26-3/h6-7,10,18H,4-5,8-9,11-16H2,1-3H3,(H2,21,23,24)
InChIKeyRCQCWCXKPYMKMB-UHFFFAOYSA-N
XLogP2.04
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110988171
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(4-methylcyclohexyl)guanidine
CID 111256837
1-ethyl-3-(1-propylpiperidin-4-yl)-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111016829
1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine
CID 110987740
1-(1-benzylpiperidin-4-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110985417
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915036
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111189144
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111827221
1-ethyl-3-(1-propylpiperidin-4-yl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968268
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111993469
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111575525
1-cyclopentyl-3-ethyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 110989697

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine (CID 111017615) is 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/Cc2cccnc2OCCOC)NCC)CC1.
What is the InChIKey of 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is RCQCWCXKPYMKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-4-11-25-12-8-18(9-13-25)24-20(21-5-2)23-16-17-7-6-10-22-19(17)27-15-14-26-3/h6-7,10,18H,4-5,8-9,11-16H2,1-3H3,(H2,21,23,24).
What are the key properties of 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 377.53 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111017615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).