N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide

C19H18N4O — CID 11631107

IUPACN-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O/c1-14(24)22-17-9-5-8-16(10-17)18-12-20-13-19(23-18)21-11-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyAPNYMHFAZCCZRG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.71
Rot. Bonds5

About N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11631107) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11631107
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O/c1-14(24)22-17-9-5-8-16(10-17)18-12-20-13-19(23-18)21-11-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyAPNYMHFAZCCZRG-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide (CID 11631107) is N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(NCc3ccccc3)n2)c1.
What is the InChIKey of N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is APNYMHFAZCCZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14(24)22-17-9-5-8-16(10-17)18-12-20-13-19(23-18)21-11-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(benzylamino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11631107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).