N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide

C17H22N4O — CID 109280656

IUPACN,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCc2ccc(C)cc2)cn1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)17(22)15-11-20-16(12-18-15)19-10-14-8-6-13(3)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyYUIZPXINPZMFEF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.88
Rot. Bonds6

About N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide

N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280656) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280656
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCc2ccc(C)cc2)cn1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)17(22)15-11-20-16(12-18-15)19-10-14-8-6-13(3)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyYUIZPXINPZMFEF-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109281705
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750
N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109280643
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-ethyl-5-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 107376148
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
CID 109285752
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
N-butyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374046

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280656) is N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is CCN(CC)C(=O)c1cnc(NCc2ccc(C)cc2)cn1.
What is the InChIKey of N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is YUIZPXINPZMFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-21(5-2)17(22)15-11-20-16(12-18-15)19-10-14-8-6-13(3)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20).
What are the key properties of N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).