N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide

C25H22N4O4 — CID 43811688

IUPACN-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1
InChIInChI=1S/C25H22N4O4/c1-32-20-10-5-9-19(15-20)29(25(31)21-17-26-12-13-27-21)23(22-11-6-14-33-22)24(30)28-16-18-7-3-2-4-8-18/h2-15,17,23H,16H2,1H3,(H,28,30)
InChIKeyQZTMWEVUNPGWRT-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.78
Rot. Bonds8

About N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide

N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 43811688) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID43811688
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1
InChIInChI=1S/C25H22N4O4/c1-32-20-10-5-9-19(15-20)29(25(31)21-17-26-12-13-27-21)23(22-11-6-14-33-22)24(30)28-16-18-7-3-2-4-8-18/h2-15,17,23H,16H2,1H3,(H,28,30)
InChIKeyQZTMWEVUNPGWRT-UHFFFAOYSA-N
XLogP3.78
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1174493
N-[2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-phenylpyrazine-2-carboxamide
CID 3188494
N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1174495
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 51686578
N-[(1S)-2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 40652149
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 1167506
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452336
N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide
CID 6551039
N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221752
N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 23877700
N-[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 25303346
N-[2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 3188488

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide (CID 43811688) is N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide is COc1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1.
What is the InChIKey of N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is QZTMWEVUNPGWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-32-20-10-5-9-19(15-20)29(25(31)21-17-26-12-13-27-21)23(22-11-6-14-33-22)24(30)28-16-18-7-3-2-4-8-18/h2-15,17,23H,16H2,1H3,(H,28,30).
What are the key properties of N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 43811688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).