N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide

C20H30N4O5 — CID 42783371

IUPACN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide
SMILESCCOCCCN(CCC(=O)N1CCC2(CC1)OCCO2)C(=O)c1cnccn1
InChIInChI=1S/C20H30N4O5/c1-2-27-13-3-9-24(19(26)17-16-21-7-8-22-17)10-4-18(25)23-11-5-20(6-12-23)28-14-15-29-20/h7-8,16H,2-6,9-15H2,1H3
InChIKeyKMJHJJRLBCYNCT-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.10
Rot. Bonds9

About N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide (PubChem CID 42783371) has the molecular formula C20H30N4O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide
PubChem CID42783371
Molecular FormulaC20H30N4O5
Molecular Weight406.48 g/mol
Exact Mass406.22
IUPAC NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide
SMILESCCOCCCN(CCC(=O)N1CCC2(CC1)OCCO2)C(=O)c1cnccn1
InChIInChI=1S/C20H30N4O5/c1-2-27-13-3-9-24(19(26)17-16-21-7-8-22-17)10-4-18(25)23-11-5-20(6-12-23)28-14-15-29-20/h7-8,16H,2-6,9-15H2,1H3
InChIKeyKMJHJJRLBCYNCT-UHFFFAOYSA-N
XLogP1.10
TPSA94.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)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

Related Compounds

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783434
N-(3-ethoxypropyl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783381
N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide
CID 4087025
N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253080
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026464
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253083
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide (CID 42783371) is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide is CCOCCCN(CCC(=O)N1CCC2(CC1)OCCO2)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide?
The InChIKey is KMJHJJRLBCYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5/c1-2-27-13-3-9-24(19(26)17-16-21-7-8-22-17)10-4-18(25)23-11-5-20(6-12-23)28-14-15-29-20/h7-8,16H,2-6,9-15H2,1H3.
What are the key properties of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide?
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 1.10, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42783371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).