N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide

C15H15N5O — CID 107375530

IUPACN-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)N(C)Cc2cccc(C#N)c2)cn1
InChIInChI=1S/C15H15N5O/c1-17-14-9-18-13(8-19-14)15(21)20(2)10-12-5-3-4-11(6-12)7-16/h3-6,8-9H,10H2,1-2H3,(H,17,19)
InChIKeyMJCQWZBLOVYGPL-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.66
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide

N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107375530) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107375530
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)N(C)Cc2cccc(C#N)c2)cn1
InChIInChI=1S/C15H15N5O/c1-17-14-9-18-13(8-19-14)15(21)20(2)10-12-5-3-4-11(6-12)7-16/h3-6,8-9H,10H2,1-2H3,(H,17,19)
InChIKeyMJCQWZBLOVYGPL-UHFFFAOYSA-N
XLogP1.66
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide
CID 107377870
3-[[(6-acetyl-3-pyridinyl)-methylamino]methyl]benzonitrile
CID 83119462
N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 62968450
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide (CID 107375530) is N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)N(C)Cc2cccc(C#N)c2)cn1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is MJCQWZBLOVYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-17-14-9-18-13(8-19-14)15(21)20(2)10-12-5-3-4-11(6-12)7-16/h3-6,8-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).