N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine

C23H30N4 — CID 69380213

IUPACN,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine
SMILESCCC(CCC1NCCc2c1[nH]c1ccccc21)(c1ccccn1)N(C)C
InChIInChI=1S/C23H30N4/c1-4-23(27(2)3,21-11-7-8-15-25-21)14-12-20-22-18(13-16-24-20)17-9-5-6-10-19(17)26-22/h5-11,15,20,24,26H,4,12-14,16H2,1-3H3
InChIKeyGLLDRXYMOMPUEY-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.40
Rot. Bonds6

About N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine

N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine (PubChem CID 69380213) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine
PubChem CID69380213
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC NameN,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine
SMILESCCC(CCC1NCCc2c1[nH]c1ccccc21)(c1ccccn1)N(C)C
InChIInChI=1S/C23H30N4/c1-4-23(27(2)3,21-11-7-8-15-25-21)14-12-20-22-18(13-16-24-20)17-9-5-6-10-19(17)26-22/h5-11,15,20,24,26H,4,12-14,16H2,1-3H3
InChIKeyGLLDRXYMOMPUEY-UHFFFAOYSA-N
XLogP4.40
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine?
The IUPAC name of N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine (CID 69380213) is N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine.
What is the SMILES notation for N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine?
The canonical SMILES for N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine is CCC(CCC1NCCc2c1[nH]c1ccccc21)(c1ccccn1)N(C)C.
What is the InChIKey of N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine?
The InChIKey is GLLDRXYMOMPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-4-23(27(2)3,21-11-7-8-15-25-21)14-12-20-22-18(13-16-24-20)17-9-5-6-10-19(17)26-22/h5-11,15,20,24,26H,4,12-14,16H2,1-3H3.
What are the key properties of N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine?
N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine has a molecular weight of 362.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine is sourced from PubChem (CID 69380213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).