2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

C18H18N4 — CID 59506885

IUPAC2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCc3c[nH]c4ncccc34)c[nH]c2c1
InChIInChI=1S/C18H18N4/c1-2-6-17-15(4-1)13(11-21-17)7-9-19-10-14-12-22-18-16(14)5-3-8-20-18/h1-6,8,11-12,19,21H,7,9-10H2,(H,20,22)
InChIKeyKCWAMSRBEQZMQN-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.38
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (PubChem CID 59506885) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
PubChem CID59506885
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCc3c[nH]c4ncccc34)c[nH]c2c1
InChIInChI=1S/C18H18N4/c1-2-6-17-15(4-1)13(11-21-17)7-9-19-10-14-12-22-18-16(14)5-3-8-20-18/h1-6,8,11-12,19,21H,7,9-10H2,(H,20,22)
InChIKeyKCWAMSRBEQZMQN-UHFFFAOYSA-N
XLogP3.38
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
2-(1,2,4-oxadiazol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114183344
2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616
2-(cyclopenten-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114153186
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol
CID 79775940
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (CID 59506885) is 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is c1ccc2c(CCNCc3c[nH]c4ncccc34)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The InChIKey is KCWAMSRBEQZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-6-17-15(4-1)13(11-21-17)7-9-19-10-14-12-22-18-16(14)5-3-8-20-18/h1-6,8,11-12,19,21H,7,9-10H2,(H,20,22).
What are the key properties of 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine has a molecular weight of 290.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 59506885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).