N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide

C24H28N4O5 — CID 4129422

IUPACN-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)CCN(Cc2ccco2)C(=O)c2cnc(C)cn2)cc1OC
InChIInChI=1S/C24H28N4O5/c1-17-14-27-20(15-26-17)24(30)28(16-19-5-4-12-33-19)11-9-23(29)25-10-8-18-6-7-21(31-2)22(13-18)32-3/h4-7,12-15H,8-11,16H2,1-3H3,(H,25,29)
InChIKeyKBASMAQLMJCADF-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.79
Rot. Bonds11

About N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide

N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide (PubChem CID 4129422) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
PubChem CID4129422
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)CCN(Cc2ccco2)C(=O)c2cnc(C)cn2)cc1OC
InChIInChI=1S/C24H28N4O5/c1-17-14-27-20(15-26-17)24(30)28(16-19-5-4-12-33-19)11-9-23(29)25-10-8-18-6-7-21(31-2)22(13-18)32-3/h4-7,12-15H,8-11,16H2,1-3H3,(H,25,29)
InChIKeyKBASMAQLMJCADF-UHFFFAOYSA-N
XLogP2.79
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 816538
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
CID 39977410
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783474
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326799
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide (CID 4129422) is N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide is COc1ccc(CCNC(=O)CCN(Cc2ccco2)C(=O)c2cnc(C)cn2)cc1OC.
What is the InChIKey of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is KBASMAQLMJCADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-17-14-27-20(15-26-17)24(30)28(16-19-5-4-12-33-19)11-9-23(29)25-10-8-18-6-7-21(31-2)22(13-18)32-3/h4-7,12-15H,8-11,16H2,1-3H3,(H,25,29).
What are the key properties of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 2.79, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 4129422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).