N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

C16H19N5O3 — CID 166381885

IUPACN-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cnc2[nH]ccc2n1
InChIInChI=1S/C16H19N5O3/c22-14(12-9-19-13-11(21-12)1-4-18-13)20-8-10-7-16(15(23)24-10)2-5-17-6-3-16/h1,4,9-10,17H,2-3,5-8H2,(H,18,19)(H,20,22)
InChIKeySBSYZGCCAYRJSF-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.37
Rot. Bonds3

About N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (PubChem CID 166381885) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
PubChem CID166381885
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cnc2[nH]ccc2n1
InChIInChI=1S/C16H19N5O3/c22-14(12-9-19-13-11(21-12)1-4-18-13)20-8-10-7-16(15(23)24-10)2-5-17-6-3-16/h1,4,9-10,17H,2-3,5-8H2,(H,18,19)(H,20,22)
InChIKeySBSYZGCCAYRJSF-UHFFFAOYSA-N
XLogP0.37
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (CID 166381885) is N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is O=C(NCC1CC2(CCNCC2)C(=O)O1)c1cnc2[nH]ccc2n1.
What is the InChIKey of N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The InChIKey is SBSYZGCCAYRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-14(12-9-19-13-11(21-12)1-4-18-13)20-8-10-7-16(15(23)24-10)2-5-17-6-3-16/h1,4,9-10,17H,2-3,5-8H2,(H,18,19)(H,20,22).
What are the key properties of N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 166381885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).