N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide

C13H14N4O — CID 138578643

IUPACN-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCNc1cnc(-c2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C13H14N4O/c1-9(18)17-11-5-3-10(4-6-11)12-7-16-13(14-2)8-15-12/h3-8H,1-2H3,(H,14,16)(H,17,18)
InChIKeyIQFMXJKTDZOWTC-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.14
Rot. Bonds3

About N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide

N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 138578643) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide
PubChem CID138578643
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCNc1cnc(-c2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C13H14N4O/c1-9(18)17-11-5-3-10(4-6-11)12-7-16-13(14-2)8-15-12/h3-8H,1-2H3,(H,14,16)(H,17,18)
InChIKeyIQFMXJKTDZOWTC-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-fluorophenyl)pyrazin-2-yl]acetamide
CID 86081806
N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide
CID 103059780
N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238
N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide
CID 174917262
N-(4-methylphenyl)acetamide
CID 7684
N-[2-(methylamino)-4-pyridinyl]acetamide
CID 118178199
5-(methylamino)-N-pyridin-4-ylpyrazine-2-carboxamide
CID 107374325
N-(4-phenylphenyl)acetamide
CID 19998
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
[6-(methylamino)-3-pyridinyl]urea
CID 130725566

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide (CID 138578643) is N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide is CNc1cnc(-c2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is IQFMXJKTDZOWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(18)17-11-5-3-10(4-6-11)12-7-16-13(14-2)8-15-12/h3-8H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide?
N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 242.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 138578643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).