N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

C16H24N4O — CID 66411997

IUPACN-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCOCC2)c2ncccc12
InChIInChI=1S/C16H24N4O/c1-2-17-12-14-13-20(16-15(14)4-3-5-18-16)7-6-19-8-10-21-11-9-19/h3-5,13,17H,2,6-12H2,1H3
InChIKeyCIDWFAVDGAPWKN-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.48
Rot. Bonds6

About N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 66411997) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID66411997
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCOCC2)c2ncccc12
InChIInChI=1S/C16H24N4O/c1-2-17-12-14-13-20(16-15(14)4-3-5-18-16)7-6-19-8-10-21-11-9-19/h3-5,13,17H,2,6-12H2,1H3
InChIKeyCIDWFAVDGAPWKN-UHFFFAOYSA-N
XLogP1.48
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 66411997) is N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is CCNCc1cn(CCN2CCOCC2)c2ncccc12.
What is the InChIKey of N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is CIDWFAVDGAPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-17-12-14-13-20(16-15(14)4-3-5-18-16)7-6-19-8-10-21-11-9-19/h3-5,13,17H,2,6-12H2,1H3.
What are the key properties of N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 288.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66411997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).