N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide

C18H20N6O — CID 11522879

IUPACN-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3cc(C)n(C)n3)n2)c1
InChIInChI=1S/C18H20N6O/c1-12-7-16(23-24(12)3)9-20-18-11-19-10-17(22-18)14-5-4-6-15(8-14)21-13(2)25/h4-8,10-11H,9H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyQRJCVPRACSYTHA-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.76
Rot. Bonds5

About N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide

N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide (PubChem CID 11522879) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide
PubChem CID11522879
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3cc(C)n(C)n3)n2)c1
InChIInChI=1S/C18H20N6O/c1-12-7-16(23-24(12)3)9-20-18-11-19-10-17(22-18)14-5-4-6-15(8-14)21-13(2)25/h4-8,10-11H,9H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyQRJCVPRACSYTHA-UHFFFAOYSA-N
XLogP2.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
N-benzyl-6-(3-methylphenyl)pyrazin-2-amine
CID 140905455
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
CID 84761606
N-[3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871603
N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 55110274
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone
CID 67457770
N-[3-[[5-(pyridin-3-ylmethylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112952262

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide (CID 11522879) is N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(NCc3cc(C)n(C)n3)n2)c1.
What is the InChIKey of N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is QRJCVPRACSYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-7-16(23-24(12)3)9-20-18-11-19-10-17(22-18)14-5-4-6-15(8-14)21-13(2)25/h4-8,10-11H,9H2,1-3H3,(H,20,22)(H,21,25).
What are the key properties of N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11522879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).