N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide

C20H23N5O2 — CID 67989819

IUPACN'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide
SMILESCOc1ccc(-c2ccc3ncc(N=C(N)C(C)(C)C)nc3n2)cc1OC
InChIInChI=1S/C20H23N5O2/c1-20(2,3)19(21)25-17-11-22-14-8-7-13(23-18(14)24-17)12-6-9-15(26-4)16(10-12)27-5/h6-11H,1-5H3,(H2,21,23,24,25)
InChIKeyQHFAFXRBTWKFIV-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.74
Rot. Bonds4

About N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide

N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide (PubChem CID 67989819) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide
PubChem CID67989819
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide
SMILESCOc1ccc(-c2ccc3ncc(N=C(N)C(C)(C)C)nc3n2)cc1OC
InChIInChI=1S/C20H23N5O2/c1-20(2,3)19(21)25-17-11-22-14-8-7-13(23-18(14)24-17)12-6-9-15(26-4)16(10-12)27-5/h6-11H,1-5H3,(H2,21,23,24,25)
InChIKeyQHFAFXRBTWKFIV-UHFFFAOYSA-N
XLogP3.74
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide (CID 67989819) is N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide is COc1ccc(-c2ccc3ncc(N=C(N)C(C)(C)C)nc3n2)cc1OC.
What is the InChIKey of N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide?
The InChIKey is QHFAFXRBTWKFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,3)19(21)25-17-11-22-14-8-7-13(23-18(14)24-17)12-6-9-15(26-4)16(10-12)27-5/h6-11H,1-5H3,(H2,21,23,24,25).
What are the key properties of N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide?
N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide has a molecular weight of 365.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 67989819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).