N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C17H29N3O2 — CID 20965236

IUPACN-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCOCCCNC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C17H29N3O2/c1-5-22-12-6-9-18-17(21)20-11-10-19-14(4)7-8-15(19)16(20)13(2)3/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,18,21)
InChIKeyWCNLVLRFZSSAQR-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.95
Rot. Bonds6

About N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965236) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20965236
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCOCCCNC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C17H29N3O2/c1-5-22-12-6-9-18-17(21)20-11-10-19-14(4)7-8-15(19)16(20)13(2)3/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,18,21)
InChIKeyWCNLVLRFZSSAQR-UHFFFAOYSA-N
XLogP2.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]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-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965236) is N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCOCCCNC(=O)N1CCn2c(C)ccc2C1C(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WCNLVLRFZSSAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-22-12-6-9-18-17(21)20-11-10-19-14(4)7-8-15(19)16(20)13(2)3/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,18,21).
What are the key properties of N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).