N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide

C14H19N3O2 — CID 52918079

IUPACN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1ccc2ccc(OC)nc21
InChIInChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)
InChIKeySRFKFUXRQNAXPP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide

N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide (PubChem CID 52918079) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide
PubChem CID52918079
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1ccc2ccc(OC)nc21
InChIInChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)
InChIKeySRFKFUXRQNAXPP-UHFFFAOYSA-N
XLogP1.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide (CID 52918079) is N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide is CCCC(=O)NCCn1ccc2ccc(OC)nc21.
What is the InChIKey of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide?
The InChIKey is SRFKFUXRQNAXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide?
N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide has a molecular weight of 261.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]butanamide is sourced from PubChem (CID 52918079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).