N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide

C20H20N4O4 — CID 87201830

IUPACN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
SMILESCOc1cc(Nc2cncc(-c3ccc(NC=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-26-17-8-15(9-18(27-2)20(17)28-3)23-19-11-21-10-16(24-19)13-4-6-14(7-5-13)22-12-25/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyYZAFJDZDZQIFQA-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.48
Rot. Bonds8

About N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide

N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide (PubChem CID 87201830) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
PubChem CID87201830
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
SMILESCOc1cc(Nc2cncc(-c3ccc(NC=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-26-17-8-15(9-18(27-2)20(17)28-3)23-19-11-21-10-16(24-19)13-4-6-14(7-5-13)22-12-25/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyYZAFJDZDZQIFQA-UHFFFAOYSA-N
XLogP3.48
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
5-[[6-[4-[[hydroxy-[4-(trifluoromethyl)anilino]methyl]amino]phenyl]pyrazin-2-yl]amino]-2,3-dimethoxybenzaldehyde
CID 162603766
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
(3-fluorophenyl)-[[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]carbamoyl]azanium
CID 148535392
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
CID 59343485

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide?
The IUPAC name of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide (CID 87201830) is N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide?
The canonical SMILES for N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide is COc1cc(Nc2cncc(-c3ccc(NC=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide?
The InChIKey is YZAFJDZDZQIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-17-8-15(9-18(27-2)20(17)28-3)23-19-11-21-10-16(24-19)13-4-6-14(7-5-13)22-12-25/h4-12H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide?
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide has a molecular weight of 380.40 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide is sourced from PubChem (CID 87201830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).