N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

C17H24N4O3 — CID 54586060

IUPACN-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCOCC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C17H24N4O3/c1-13(22)18-5-6-21-12-14(11-20-7-9-24-10-8-20)15-3-4-16(23-2)19-17(15)21/h3-4,12H,5-11H2,1-2H3,(H,18,22)
InChIKeyCRJVLUQEWDTFEC-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.01
Rot. Bonds6

About N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 54586060) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
PubChem CID54586060
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCOCC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C17H24N4O3/c1-13(22)18-5-6-21-12-14(11-20-7-9-24-10-8-20)15-3-4-16(23-2)19-17(15)21/h3-4,12H,5-11H2,1-2H3,(H,18,22)
InChIKeyCRJVLUQEWDTFEC-UHFFFAOYSA-N
XLogP1.01
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (CID 54586060) is N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is COc1ccc2c(CN3CCOCC3)cn(CCNC(C)=O)c2n1.
What is the InChIKey of N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The InChIKey is CRJVLUQEWDTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13(22)18-5-6-21-12-14(11-20-7-9-24-10-8-20)15-3-4-16(23-2)19-17(15)21/h3-4,12H,5-11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 54586060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).