N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine

C17H20N4 — CID 67961671

IUPACN-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C17H20N4/c1-3-21(4-2)12-16-6-5-14(10-19-16)15-9-13-7-8-18-17(13)20-11-15/h5-11H,3-4,12H2,1-2H3,(H,18,20)
InChIKeyFKLAMMMBBCVQEJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.47
Rot. Bonds5

About N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine

N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 67961671) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID67961671
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C17H20N4/c1-3-21(4-2)12-16-6-5-14(10-19-16)15-9-13-7-8-18-17(13)20-11-15/h5-11H,3-4,12H2,1-2H3,(H,18,20)
InChIKeyFKLAMMMBBCVQEJ-UHFFFAOYSA-N
XLogP3.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine (CID 67961671) is N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine is CCN(CC)Cc1ccc(-c2cnc3[nH]ccc3c2)cn1.
What is the InChIKey of N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is FKLAMMMBBCVQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-21(4-2)12-16-6-5-14(10-19-16)15-9-13-7-8-18-17(13)20-11-15/h5-11H,3-4,12H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine?
N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 67961671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).