N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide

C23H30N6O — CID 111973862

IUPACN-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C23H30N6O/c1-17-7-8-20-18(15-27-21(20)14-17)9-12-26-23(24-2)28-16-22(30)29(3)13-10-19-6-4-5-11-25-19/h4-8,11,14-15,27H,9-10,12-13,16H2,1-3H3,(H2,24,26,28)
InChIKeyCZEBJDJGLXAWLZ-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.28
Rot. Bonds8

About N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide

N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 111973862) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID111973862
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C23H30N6O/c1-17-7-8-20-18(15-27-21(20)14-17)9-12-26-23(24-2)28-16-22(30)29(3)13-10-19-6-4-5-11-25-19/h4-8,11,14-15,27H,9-10,12-13,16H2,1-3H3,(H2,24,26,28)
InChIKeyCZEBJDJGLXAWLZ-UHFFFAOYSA-N
XLogP2.28
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111648825
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111973888
N-methyl-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 110978479
N,N-dimethyl-3-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111973793
N-methyl-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110978478
N-methyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111130037
N-methyl-2-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111345708
1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973940
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111973964
N-methyl-2-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 111627016
N-tert-butyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]acetamide
CID 111384373
N-methyl-2-[[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111418532

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide (CID 111973862) is N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide is C/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(=O)N(C)CCc1ccccn1.
What is the InChIKey of N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is CZEBJDJGLXAWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-17-7-8-20-18(15-27-21(20)14-17)9-12-26-23(24-2)28-16-22(30)29(3)13-10-19-6-4-5-11-25-19/h4-8,11,14-15,27H,9-10,12-13,16H2,1-3H3,(H2,24,26,28).
What are the key properties of N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide?
N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 111973862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).