N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

C21H22N6O2 — CID 109285128

IUPACN-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(N(C)CCc3ccncc3)cn2)c1
InChIInChI=1S/C21H22N6O2/c1-15(28)25-17-4-3-5-18(12-17)26-21(29)19-13-24-20(14-23-19)27(2)11-8-16-6-9-22-10-7-16/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBBQHDXRVTVRWPJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.76
Rot. Bonds7

About N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (PubChem CID 109285128) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
PubChem CID109285128
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(N(C)CCc3ccncc3)cn2)c1
InChIInChI=1S/C21H22N6O2/c1-15(28)25-17-4-3-5-18(12-17)26-21(29)19-13-24-20(14-23-19)27(2)11-8-16-6-9-22-10-7-16/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBBQHDXRVTVRWPJ-UHFFFAOYSA-N
XLogP2.76
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285067
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192922
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285075
methyl 3-[[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109351611
2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013518
3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013512
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]pyridine-3-carboxamide
CID 113013535
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130
2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (CID 109285128) is N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cnc(N(C)CCc3ccncc3)cn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The InChIKey is BBQHDXRVTVRWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-15(28)25-17-4-3-5-18(12-17)26-21(29)19-13-24-20(14-23-19)27(2)11-8-16-6-9-22-10-7-16/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).