2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C24H33N5O2 — CID 111732157

IUPAC2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CCc1ccccn1)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C24H33N5O2/c1-4-25-24(27-17-23(30)28(2)15-13-21-7-5-6-14-26-21)29-16-12-20(18-29)19-8-10-22(31-3)11-9-19/h5-11,14,20H,4,12-13,15-18H2,1-3H3,(H,25,27)
InChIKeyOZDOWEVEVUBAFJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.55
Rot. Bonds8

About 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 111732157) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID111732157
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CCc1ccccn1)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C24H33N5O2/c1-4-25-24(27-17-23(30)28(2)15-13-21-7-5-6-14-26-21)29-16-12-20(18-29)19-8-10-22(31-3)11-9-19/h5-11,14,20H,4,12-13,15-18H2,1-3H3,(H,25,27)
InChIKeyOZDOWEVEVUBAFJ-UHFFFAOYSA-N
XLogP2.55
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.55
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-(4-methoxyphenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111731122
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731841
N'-[3-(dimethylamino)propyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731845
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111732151
N-tert-butyl-2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 111732142
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110958383
2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111929565
2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110935198
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731865
N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111732138
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 109452068
N-benzyl-3-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]propanamide;hydroiodide
CID 111732016

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 111732157) is 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CCN/C(=N\CC(=O)N(C)CCc1ccccn1)N1CCC(c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is OZDOWEVEVUBAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-4-25-24(27-17-23(30)28(2)15-13-21-7-5-6-14-26-21)29-16-12-20(18-29)19-8-10-22(31-3)11-9-19/h5-11,14,20H,4,12-13,15-18H2,1-3H3,(H,25,27).
What are the key properties of 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 111732157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).