1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

C19H23N5 — CID 111095506

IUPAC1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCc1[nH]c2ccccc2c1CCN/C(N)=N/CCc1ccccn1
InChIInChI=1S/C19H23N5/c1-14-16(17-7-2-3-8-18(17)24-14)10-13-23-19(20)22-12-9-15-6-4-5-11-21-15/h2-8,11,24H,9-10,12-13H2,1H3,(H3,20,22,23)
InChIKeyRJEOCAHCRDBWQR-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.56
Rot. Bonds6

About 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111095506) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111095506
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCc1[nH]c2ccccc2c1CCN/C(N)=N/CCc1ccccn1
InChIInChI=1S/C19H23N5/c1-14-16(17-7-2-3-8-18(17)24-14)10-13-23-19(20)22-12-9-15-6-4-5-11-21-15/h2-8,11,24H,9-10,12-13H2,1H3,(H3,20,22,23)
InChIKeyRJEOCAHCRDBWQR-UHFFFAOYSA-N
XLogP2.56
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111095471
1-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613805
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026860
2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111095491
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111069799
1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111049786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (CID 111095506) is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is Cc1[nH]c2ccccc2c1CCN/C(N)=N/CCc1ccccn1.
What is the InChIKey of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is RJEOCAHCRDBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-16(17-7-2-3-8-18(17)24-14)10-13-23-19(20)22-12-9-15-6-4-5-11-21-15/h2-8,11,24H,9-10,12-13H2,1H3,(H3,20,22,23).
What are the key properties of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 321.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111095506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).