N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide

C31H32N4O5 — CID 23877700

IUPACN-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(C(=O)NCc2ccccc2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2cnccn2)cc1
InChIInChI=1S/C31H32N4O5/c1-38-25-12-10-24(11-13-25)29(30(36)34-20-23-7-5-4-6-8-23)35(31(37)26-21-32-16-17-33-26)18-15-22-9-14-27(39-2)28(19-22)40-3/h4-14,16-17,19,21,29H,15,18,20H2,1-3H3,(H,34,36)
InChIKeyHTSAUONVYZUJGQ-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.24
Rot. Bonds12

About N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide

N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 23877700) has the molecular formula C31H32N4O5 and a molecular weight of 540.62 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID23877700
Molecular FormulaC31H32N4O5
Molecular Weight540.62 g/mol
Exact Mass540.24
IUPAC NameN-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(C(=O)NCc2ccccc2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2cnccn2)cc1
InChIInChI=1S/C31H32N4O5/c1-38-25-12-10-24(11-13-25)29(30(36)34-20-23-7-5-4-6-8-23)35(31(37)26-21-32-16-17-33-26)18-15-22-9-14-27(39-2)28(19-22)40-3/h4-14,16-17,19,21,29H,15,18,20H2,1-3H3,(H,34,36)
InChIKeyHTSAUONVYZUJGQ-UHFFFAOYSA-N
XLogP4.24
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184757
N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1174495
N-[2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 3188488
N-[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 25303346
N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 3185125
N-(3-acetamidophenyl)-N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1174493
N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1167455
4-amino-5-N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3177721
N-[2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-phenylpyrazine-2-carboxamide
CID 3188494
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
N-[(1S)-2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 40652149
N-[2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184783

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 23877700) is N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1ccc(C(C(=O)NCc2ccccc2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2cnccn2)cc1.
What is the InChIKey of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is HTSAUONVYZUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O5/c1-38-25-12-10-24(11-13-25)29(30(36)34-20-23-7-5-4-6-8-23)35(31(37)26-21-32-16-17-33-26)18-15-22-9-14-27(39-2)28(19-22)40-3/h4-14,16-17,19,21,29H,15,18,20H2,1-3H3,(H,34,36).
What are the key properties of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide?
N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 4.24, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 23877700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).