N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine

C17H25N3 — CID 95853015

IUPACN-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1c(C2CCCC2)[nH]c2ncccc12
InChIInChI=1S/C17H25N3/c1-3-20(4-2)12-15-14-10-7-11-18-17(14)19-16(15)13-8-5-6-9-13/h7,10-11,13H,3-6,8-9,12H2,1-2H3,(H,18,19)
InChIKeyRGGRJUKDGSSCEQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.06
Rot. Bonds5

About N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine

N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine (PubChem CID 95853015) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine
PubChem CID95853015
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1c(C2CCCC2)[nH]c2ncccc12
InChIInChI=1S/C17H25N3/c1-3-20(4-2)12-15-14-10-7-11-18-17(14)19-16(15)13-8-5-6-9-13/h7,10-11,13H,3-6,8-9,12H2,1-2H3,(H,18,19)
InChIKeyRGGRJUKDGSSCEQ-UHFFFAOYSA-N
XLogP4.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine (CID 95853015) is N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine is CCN(CC)Cc1c(C2CCCC2)[nH]c2ncccc12.
What is the InChIKey of N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine?
The InChIKey is RGGRJUKDGSSCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-20(4-2)12-15-14-10-7-11-18-17(14)19-16(15)13-8-5-6-9-13/h7,10-11,13H,3-6,8-9,12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine?
N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine has a molecular weight of 271.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 95853015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).