3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide

C24H33N5O2 — CID 111670130

IUPAC3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
SMILESCCN/C(=N\Cc1ccc(OCC2CC2)nc1)NCCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C24H33N5O2/c1-4-25-24(26-13-12-18-6-5-7-21(14-18)23(30)29(2)3)28-16-20-10-11-22(27-15-20)31-17-19-8-9-19/h5-7,10-11,14-15,19H,4,8-9,12-13,16-17H2,1-3H3,(H2,25,26,28)
InChIKeyUHWQRZQVPNBAOB-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.87
Rot. Bonds10

About 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide

3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide (PubChem CID 111670130) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
PubChem CID111670130
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
SMILESCCN/C(=N\Cc1ccc(OCC2CC2)nc1)NCCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C24H33N5O2/c1-4-25-24(26-13-12-18-6-5-7-21(14-18)23(30)29(2)3)28-16-20-10-11-22(27-15-20)31-17-19-8-9-19/h5-7,10-11,14-15,19H,4,8-9,12-13,16-17H2,1-3H3,(H2,25,26,28)
InChIKeyUHWQRZQVPNBAOB-UHFFFAOYSA-N
XLogP2.87
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.87
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'}

Analyze 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethylguanidine
CID 111214113
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine
CID 110917760
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110917759
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868456
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192781
3-[2-[[N'-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669203
3-[2-[[N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669978
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005135
3-[2-[[N-ethyl-N'-[(4-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668577
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471720
3-[2-[[N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634594
3-[2-[[N-ethyl-N'-[[3-(propylcarbamoyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668018

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide (CID 111670130) is 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide is CCN/C(=N\Cc1ccc(OCC2CC2)nc1)NCCc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide?
The InChIKey is UHWQRZQVPNBAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-4-25-24(26-13-12-18-6-5-7-21(14-18)23(30)29(2)3)28-16-20-10-11-22(27-15-20)31-17-19-8-9-19/h5-7,10-11,14-15,19H,4,8-9,12-13,16-17H2,1-3H3,(H2,25,26,28).
What are the key properties of 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide?
3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide has a molecular weight of 423.56 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111670130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).