N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide

C15H19N3O2 — CID 18758205

IUPACN-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide
SMILESCOc1ccc2c(n1)c(CCNC(C)=O)c1n2CCC1
InChIInChI=1S/C15H19N3O2/c1-10(19)16-8-7-11-12-4-3-9-18(12)13-5-6-14(20-2)17-15(11)13/h5-6H,3-4,7-9H2,1-2H3,(H,16,19)
InChIKeyNZXNKEHNPMYZHJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide

N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide (PubChem CID 18758205) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide
PubChem CID18758205
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide
SMILESCOc1ccc2c(n1)c(CCNC(C)=O)c1n2CCC1
InChIInChI=1S/C15H19N3O2/c1-10(19)16-8-7-11-12-4-3-9-18(12)13-5-6-14(20-2)17-15(11)13/h5-6H,3-4,7-9H2,1-2H3,(H,16,19)
InChIKeyNZXNKEHNPMYZHJ-UHFFFAOYSA-N
XLogP1.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide (CID 18758205) is N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide is COc1ccc2c(n1)c(CCNC(C)=O)c1n2CCC1.
What is the InChIKey of N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide?
The InChIKey is NZXNKEHNPMYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(19)16-8-7-11-12-4-3-9-18(12)13-5-6-14(20-2)17-15(11)13/h5-6H,3-4,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide?
N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide is sourced from PubChem (CID 18758205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).