N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

C15H19N5O — CID 66412784

IUPACN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nnc(CC)o2)c2ncccc12
InChIInChI=1S/C15H19N5O/c1-3-13-18-19-14(21-13)10-20-9-11(8-16-4-2)12-6-5-7-17-15(12)20/h5-7,9,16H,3-4,8,10H2,1-2H3
InChIKeyALUSRWPAMRLFAL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.14
Rot. Bonds6

About N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 66412784) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID66412784
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nnc(CC)o2)c2ncccc12
InChIInChI=1S/C15H19N5O/c1-3-13-18-19-14(21-13)10-20-9-11(8-16-4-2)12-6-5-7-17-15(12)20/h5-7,9,16H,3-4,8,10H2,1-2H3
InChIKeyALUSRWPAMRLFAL-UHFFFAOYSA-N
XLogP2.14
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66411630
N-[[1-(2-pyrazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66412190
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411997
N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413174
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413572
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413176
N-[[1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411417
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411229
butyl 2-[3-(ethylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66411609
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412791

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 66412784) is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is CCNCc1cn(Cc2nnc(CC)o2)c2ncccc12.
What is the InChIKey of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is ALUSRWPAMRLFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-13-18-19-14(21-13)10-20-9-11(8-16-4-2)12-6-5-7-17-15(12)20/h5-7,9,16H,3-4,8,10H2,1-2H3.
What are the key properties of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66412784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).