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

C16H18N4 — CID 66410832

IUPACN-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccccn2)c2ncccc12
InChIInChI=1S/C16H18N4/c1-2-17-10-13-11-20(12-14-6-3-4-8-18-14)16-15(13)7-5-9-19-16/h3-9,11,17H,2,10,12H2,1H3
InChIKeyXIAVOMCOSTXUJI-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.59
Rot. Bonds5

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

N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 66410832) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID66410832
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccccn2)c2ncccc12
InChIInChI=1S/C16H18N4/c1-2-17-10-13-11-20(12-14-6-3-4-8-18-14)16-15(13)7-5-9-19-16/h3-9,11,17H,2,10,12H2,1H3
InChIKeyXIAVOMCOSTXUJI-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 66410832) is N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is CCNCc1cn(Cc2ccccn2)c2ncccc12.
What is the InChIKey of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is XIAVOMCOSTXUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-17-10-13-11-20(12-14-6-3-4-8-18-14)16-15(13)7-5-9-19-16/h3-9,11,17H,2,10,12H2,1H3.
What are the key properties of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66410832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).