2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide

C17H19BrN4O2 — CID 154743089

IUPAC2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide
SMILESO=C(CNC1(CO)CCc2cc(Br)ccc2C1)Nc1cnccn1
InChIInChI=1S/C17H19BrN4O2/c18-14-2-1-13-8-17(11-23,4-3-12(13)7-14)21-10-16(24)22-15-9-19-5-6-20-15/h1-2,5-7,9,21,23H,3-4,8,10-11H2,(H,20,22,24)
InChIKeyWILYCUKWXZQHDU-UHFFFAOYSA-N
MW391.27 g/mol
LogP1.69
Rot. Bonds5

About 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide

2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide (PubChem CID 154743089) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide
PubChem CID154743089
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide
SMILESO=C(CNC1(CO)CCc2cc(Br)ccc2C1)Nc1cnccn1
InChIInChI=1S/C17H19BrN4O2/c18-14-2-1-13-8-17(11-23,4-3-12(13)7-14)21-10-16(24)22-15-9-19-5-6-20-15/h1-2,5-7,9,21,23H,3-4,8,10-11H2,(H,20,22,24)
InChIKeyWILYCUKWXZQHDU-UHFFFAOYSA-N
XLogP1.69
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide (CID 154743089) is 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide is O=C(CNC1(CO)CCc2cc(Br)ccc2C1)Nc1cnccn1.
What is the InChIKey of 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide?
The InChIKey is WILYCUKWXZQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c18-14-2-1-13-8-17(11-23,4-3-12(13)7-14)21-10-16(24)22-15-9-19-5-6-20-15/h1-2,5-7,9,21,23H,3-4,8,10-11H2,(H,20,22,24).
What are the key properties of 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide?
2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide has a molecular weight of 391.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 154743089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).