N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide

C15H18N4O — CID 46948068

IUPACN-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc(CN(C)C)cc2)n1
InChIInChI=1S/C15H18N4O/c1-11(20)17-15-9-16-8-14(18-15)13-6-4-12(5-7-13)10-19(2)3/h4-9H,10H2,1-3H3,(H,17,18,20)
InChIKeyOZMXCBFALPYFDL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.16
Rot. Bonds4

About N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide

N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide (PubChem CID 46948068) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide
PubChem CID46948068
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc(CN(C)C)cc2)n1
InChIInChI=1S/C15H18N4O/c1-11(20)17-15-9-16-8-14(18-15)13-6-4-12(5-7-13)10-19(2)3/h4-9H,10H2,1-3H3,(H,17,18,20)
InChIKeyOZMXCBFALPYFDL-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide?
The IUPAC name of N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide (CID 46948068) is N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide is CC(=O)Nc1cncc(-c2ccc(CN(C)C)cc2)n1.
What is the InChIKey of N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide?
The InChIKey is OZMXCBFALPYFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(20)17-15-9-16-8-14(18-15)13-6-4-12(5-7-13)10-19(2)3/h4-9H,10H2,1-3H3,(H,17,18,20).
What are the key properties of N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide?
N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 46948068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).