5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

C21H23N5O3 — CID 109285036

IUPAC5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)N(C)CCc3ccncc3)cn2)c(OC)c1
InChIInChI=1S/C21H23N5O3/c1-26(11-8-15-6-9-22-10-7-15)21(27)18-13-24-20(14-23-18)25-17-5-4-16(28-2)12-19(17)29-3/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,24,25)
InChIKeyDBTIPTKJAGWNMB-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.95
Rot. Bonds8

About 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 109285036) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID109285036
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)N(C)CCc3ccncc3)cn2)c(OC)c1
InChIInChI=1S/C21H23N5O3/c1-26(11-8-15-6-9-22-10-7-15)21(27)18-13-24-20(14-23-18)25-17-5-4-16(28-2)12-19(17)29-3/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,24,25)
InChIKeyDBTIPTKJAGWNMB-UHFFFAOYSA-N
XLogP2.95
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,4-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285050
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985621
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109284979
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272862
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
5-N-(2,4-dimethoxyphenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954767
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
CID 109288056
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (CID 109285036) is 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)N(C)CCc3ccncc3)cn2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is DBTIPTKJAGWNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26(11-8-15-6-9-22-10-7-15)21(27)18-13-24-20(14-23-18)25-17-5-4-16(28-2)12-19(17)29-3/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,24,25).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).