N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide

C17H22N4O4 — CID 3277023

IUPACN-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOCCCNC(=O)CCN(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C17H22N4O4/c1-24-10-3-6-20-16(22)5-9-21(13-14-4-2-11-25-14)17(23)15-12-18-7-8-19-15/h2,4,7-8,11-12H,3,5-6,9-10,13H2,1H3,(H,20,22)
InChIKeyGYOLNTVAMRLBIJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.25
Rot. Bonds10

About N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 3277023) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID3277023
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOCCCNC(=O)CCN(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C17H22N4O4/c1-24-10-3-6-20-16(22)5-9-21(13-14-4-2-11-25-14)17(23)15-12-18-7-8-19-15/h2,4,7-8,11-12H,3,5-6,9-10,13H2,1H3,(H,20,22)
InChIKeyGYOLNTVAMRLBIJ-UHFFFAOYSA-N
XLogP1.25
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 1031541
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 3558029
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253079
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 4129422
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 4253223
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 816538

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 3277023) is N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide is COCCCNC(=O)CCN(Cc1ccco1)C(=O)c1cnccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is GYOLNTVAMRLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-24-10-3-6-20-16(22)5-9-21(13-14-4-2-11-25-14)17(23)15-12-18-7-8-19-15/h2,4,7-8,11-12H,3,5-6,9-10,13H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3277023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).